Buprofezin
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Basic Info
| Common Name | Buprofezin(F05822) |
| 2D Structure | |
| FRCD ID | F05822 |
| CAS Number | 69327-76-0 |
| PubChem CID | 50367 |
| Formula | C16H23N3OS |
| IUPAC Name | 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one |
| InChI Key | PRLVTUNWOQKEAI-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 |
| Canonical SMILES | CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 |
| Isomeric SMILES | CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 |
| Synonyms |
NNI 750
2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
BUPROFEZIN
Applaud
69327-76-0
Buprofenzin
Buprofezine
PP618
UNII-3B8KGI239I
2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Thiadiazinanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiadiazinanes |
| Alternative Parents | |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Thiadiazinane - Benzenoid - Isothiourea - Carbonic acid derivative - Urea - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiadiazinanes. These are organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 305.44 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Complexity | 408 |
| Monoisotopic Mass | 305.156 |
| Exact Mass | 305.156 |
| XLogP | 3.8 |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9156 |
| Human Intestinal Absorption | HIA+ | 0.8859 |
| Caco-2 Permeability | Caco2+ | 0.5065 |
| P-glycoprotein Substrate | Non-substrate | 0.6197 |
| P-glycoprotein Inhibitor | Inhibitor | 0.6270 |
| Inhibitor | 0.5392 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.7476 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7035 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.6398 |
| CYP450 2D6 Substrate | Non-substrate | 0.7867 |
| CYP450 3A4 Substrate | Substrate | 0.6217 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7278 |
| CYP450 2C9 Inhibitor | Inhibitor | 0.5890 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8877 |
| CYP450 2C19 Inhibitor | Inhibitor | 0.6483 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9133 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.6206 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9921 |
| Non-inhibitor | 0.5446 | |
| AMES Toxicity | Non AMES toxic | 0.6384 |
| Carcinogens | Non-carcinogens | 0.7451 |
| Fish Toxicity | High FHMT | 0.8874 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9520 |
| Honey Bee Toxicity | Low HBT | 0.7463 |
| Biodegradation | Not ready biodegradable | 1.0000 |
| Acute Oral Toxicity | III | 0.7758 |
| Carcinogenicity (Three-class) | Non-required | 0.5569 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -3.8260 | LogS |
| Caco-2 Permeability | 1.5877 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.1741 | LD50, mol/kg |
| Fish Toxicity | 1.6085 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.8986 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Citrus fruits | 0110000 | European Union | 1 | 28/05/2011 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 1 | 28/05/2011 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 1 | 28/05/2011 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 1 | 28/05/2011 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 1 | 28/05/2011 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 1 | 28/05/2011 | |
| Others (2) | 0110990 | European Union | 1 | 28/05/2011 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.7 | 28/05/2011 | |
| Brazil nuts | 0120020 | European Union | 0.05* | 28/05/2011 | |
| Cashew nuts | 0120030 | European Union | 0.05* | 28/05/2011 | |
| Chestnuts | 0120040 | European Union | 0.05* | 28/05/2011 | |
| Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 0.05* | 28/05/2011 | |
| Hazelnuts/cobnuts (Acorns, Filberts,) | 0120060 | European Union | 0.05* | 28/05/2011 | |
| Macadamias | 0120070 | European Union | 0.05* | 28/05/2011 | |
| Pecans (Hickory nuts,) | 0120080 | European Union | 0.05* | 28/05/2011 | |
| Pistachios | 0120100 | European Union | 0.05* | 28/05/2011 | |
| Walnuts | 0120110 | European Union | 0.05* | 28/05/2011 | |
| Others (2) | 0120990 | European Union | 0.05* | 28/05/2011 | |
| Apples (Crab apples/wild apples, Tejocotes,) | 0130010 | European Union | 3 | 28/05/2011 | |
| Pears (Nashi pears/Oriental pears, Wild pears, Ya pears/Chinese white pears,) | 0130020 | European Union | 0.5 | 28/05/2011 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Simultaneous determination of neonicotinoid insecticides and insect growthregulators residues in honey using LC-MS/MS with anion exchanger-disposablepipette extraction. | J Chromatogr A | 2018 Jul 6 | 29735281 |
| Resistance to cycloxaprid in Laodelphax striatellus is associated with alteredexpression of nicotinic acetylcholine receptor subunits. | Pest Manag Sci | 2018 Apr | 28991400 |
| Pesticide residues in nut-planted soils of China and their relationship betweennut/soil. | Chemosphere | 2017 Aug | 28391151 |
| Residual determination and risk assessment of buprofezin in plum (Prunusdomestica) grown in open-field conditions following the application of threedifferent formulations. | Biomed Chromatogr | 2016 Nov | 27106875 |
| Pesticides in persimmons, jujubes and soil from China: Residue levels, riskassessment and relationship between fruits and soils. | Sci Total Environ | 2016 Jan 15 | 26544891 |
| Residue levels and risk assessment of pesticides in nuts of China. | Chemosphere | 2016 Feb | 26408971 |
| Transfer rates of 19 typical pesticides and the relationship with theirphysicochemical property. | J Agric Food Chem | 2015 Jan 21 | 25537114 |
| Patterns of presence and concentration of pesticides in fish and waters of theJúcar River (Eastern Spain). | J Hazard Mater | 2014 Jan 30 | 24315814 |
| [Determination of eight pesticide residues in tea by liquid chromatography-tandemmass spectrometry and its uncertainty evaluation]. | Se Pu | 2012 Sep | 23285969 |
| Biodegradation of buprofezin by Rhodococcus sp. strain YL-1 isolated from ricefield soil. | J Agric Food Chem | 2012 Mar 14 | 22335821 |
| Optimization of detection conditions and single-laboratory validation of amultiresidue method for the determination of 135 pesticides and 25 organicpollutants in grapes and wine by gas chromatography time-of-flight massspectrometry. | J AOAC Int | 2011 Jan-Feb | 21391504 |
| Screening of agrochemicals in foodstuffs using low-temperature plasma (LTP)ambient ionization mass spectrometry. | Analyst | 2010 May | 20419245 |
| Desorption electrospray ionization mass spectrometry for trace analysis of agrochemicals in food. | Anal Chem | 2009 Jan 15 | 19090743 |
| Multiwalled carbon nanotubes as solid-phase extraction materials for the gaschromatographic determination of organophosphorus pesticides in waters. | J Sep Sci | 2008 Oct | 18837477 |
| Multi-walled carbon nanotubes as efficient solid-phase extraction materials oforganophosphorus pesticides from apple, grape, orange and pineapple fruit juices. | J Chromatogr A | 2008 Nov 21 | 18849040 |
| Capabilities of different liquid chromatography tandem mass spectrometry systems in determining pesticide residues in food. Application to estimate their dailyintake. | J Chromatogr A | 2007 Jul 20 | 17466998 |
| Use of liquid chromatography coupled to quadrupole time-of-flight massspectrometry to investigate pesticide residues in fruits. | Anal Chem | 2007 Apr 1 | 17309229 |
| Effect of buprofezin on survival of immature stages of Harmonia axyridis,Stethorus punctum picipes (Coleoptera: Coccinellidae), Orius tristicolor(Hemiptera: Anthocoridae), and Geocoris spp. (Hemiptera: Geocoridae). | J Econ Entomol | 2004 Jun | 15279269 |
| Rapid pesticide analysis, in post-harvest plants used as animal feed, bylow-pressure gas chromatography-tandem mass spectrometry. | Anal Bioanal Chem | 2003 Nov | 12955396 |
| [Effects of rice cleaning and cooking process on the residues of flutolanil,fenobucarb, silafluofen and buprofezin in rice]. | Shokuhin Eiseigaku Zasshi | 2003 Feb | 12749190 |
Targets
- General Function:
- Steroid hydroxylase activity
- Specific Function:
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.
- Gene Name:
- CYP2B6
- Uniprot ID:
- P20813
- Molecular Weight:
- 56277.81 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Converts the abundant, but inactive, zymogen plasminogen to plasmin by hydrolyzing a single Arg-Val bond in plasminogen. By controlling plasmin-mediated proteolysis, it plays an important role in tissue remodeling and degradation, in cell migration and many other physiopathological events. Plays a direct role in facilitating neuronal migration.
- Gene Name:
- PLAT
- Uniprot ID:
- P00750
- Molecular Weight:
- 62916.495 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Specifically cleaves the zymogen plasminogen to form the active enzyme plasmin.
- Gene Name:
- PLAU
- Uniprot ID:
- P00749
- Molecular Weight:
- 48507.09 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Protein tyrosine/serine/threonine phosphatase activity
- Specific Function:
- Shows activity both for tyrosine-protein phosphate and serine-protein phosphate, but displays a strong preference toward phosphotyrosines. Specifically dephosphorylates and inactivates ERK1 and ERK2.
- Gene Name:
- DUSP3
- Uniprot ID:
- P51452
- Molecular Weight:
- 20478.1 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Tumor necrosis factor-activated receptor activity
- Specific Function:
- Receptor for the cytotoxic ligand TNFSF10/TRAIL. The adapter molecule FADD recruits caspase-8 to the activated receptor. The resulting death-inducing signaling complex (DISC) performs caspase-8 proteolytic activation which initiates the subsequent cascade of caspases (aspartate-specific cysteine proteases) mediating apoptosis. Promotes the activation of NF-kappa-B. Essential for ER stress-induced apoptosis.
- Gene Name:
- TNFRSF10B
- Uniprot ID:
- O14763
- Molecular Weight:
- 47877.885 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- Uniprot ID:
- P22932
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Zinc ion binding
- Specific Function:
- Receptor for retinoic acid. Retinoic acid receptors bind as heterodimers to their target response elements in response to their ligands, all-trans or 9-cis retinoic acid, and regulate gene expression in various biological processes. The RXR/RAR heterodimers bind to the retinoic acid response elements (RARE) composed of tandem 5'-AGGTCA-3' sites known as DR1-DR5. In the absence of ligand, the RXR-RAR heterodimers associate with a multiprotein complex containing transcription corepressors that induce histone acetylation, chromatin condensation and transcriptional suppression. On ligand binding, the corepressors dissociate from the receptors and associate with the coactivators leading to transcriptional activation. RARA plays an essential role in the regulation of retinoic acid-induced germ cell development during spermatogenesis. Has a role in the survival of early spermatocytes at the beginning prophase of meiosis. In Sertoli cells, may promote the survival and development of early meiotic prophase spermatocytes. In concert with RARG, required for skeletal growth, matrix homeostasis and growth plate function (By similarity). Regulates expression of target genes in a ligand-dependent manner by recruiting chromatin complexes containing KMT2E/MLL5. Mediates retinoic acid-induced granulopoiesis.
- Gene Name:
- RARA
- Uniprot ID:
- P10276
- Molecular Weight:
- 50770.805 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Sulfotransferase activity
- Specific Function:
- Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfonation of steroids and bile acids in the liver and adrenal glands.
- Gene Name:
- SULT2A1
- Uniprot ID:
- Q06520
- Molecular Weight:
- 33779.57 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Zinc ion binding
- Specific Function:
- Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.
- Gene Name:
- NR1I2
- Uniprot ID:
- O75469
- Molecular Weight:
- 49761.245 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Protein homodimerization activity
- Specific Function:
- Cytokine that plays an essential role in the regulation of survival, proliferation and differentiation of hematopoietic precursor cells, especially mononuclear phagocytes, such as macrophages and monocytes. Promotes the release of proinflammatory chemokines, and thereby plays an important role in innate immunity and in inflammatory processes. Plays an important role in the regulation of osteoclast proliferation and differentiation, the regulation of bone resorption, and is required for normal bone development. Required for normal male and female fertility. Promotes reorganization of the actin cytoskeleton, regulates formation of membrane ruffles, cell adhesion and cell migration. Plays a role in lipoprotein clearance.
- Gene Name:
- CSF1
- Uniprot ID:
- P09603
- Molecular Weight:
- 60178.885 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Zinc ion binding
- Specific Function:
- Receptor for retinoic acid. Retinoic acid receptors bind as heterodimers to their target response elements in response to their ligands, all-trans or 9-cis retinoic acid, and regulate gene expression in various biological processes. The RXR/RAR heterodimers bind to the retinoic acid response elements (RARE) composed of tandem 5'-AGGTCA-3' sites known as DR1-DR5. In the absence or presence of hormone ligand, acts mainly as an activator of gene expression due to weak binding to corepressors. In concert with RARG, required for skeletal growth, matrix homeostasis and growth plate function.
- Gene Name:
- RARB
- Uniprot ID:
- P10826
- Molecular Weight:
- 50488.63 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Zinc ion binding
- Specific Function:
- Ligand-activated transcription factor. Receptor for bile acids such as chenodeoxycholic acid, lithocholic acid and deoxycholic acid. Represses the transcription of the cholesterol 7-alpha-hydroxylase gene (CYP7A1) through the induction of NR0B2 or FGF19 expression, via two distinct mechanisms. Activates the intestinal bile acid-binding protein (IBABP). Activates the transcription of bile salt export pump ABCB11 by directly recruiting histone methyltransferase CARM1 to this locus.
- Gene Name:
- NR1H4
- Uniprot ID:
- Q96RI1
- Molecular Weight:
- 55913.915 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
- General Function:
- Oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
- Specific Function:
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin.
- Gene Name:
- CYP1A2
- Uniprot ID:
- P05177
- Molecular Weight:
- 58293.76 Da
References
- Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]