Pymetrozine
(right click,save link as to download,it is a temp file,please download as soon as possible, you can also use CTRL+S to save the whole html page)
Basic Info
Common Name | Pymetrozine(F05129) |
2D Structure | |
Description | Pymetrozine is a neuroactive insecticide that selectively affects chordotonal mechanoreceptors. Physiologically, it appears to act by preventing these insects from inserting their stylus into the plant tissue. It controls many strains of aphids on potatoes and in a range of vegetable brassica crops. Pymetrozine has been determined to be of low acute toxicity to humans, birds, aquatic organisms, mammals, and bees. |
FRCD ID | F05129 |
CAS Number | 123312-89-0 |
PubChem CID | 9576037 |
Formula | C10H11N5O |
IUPAC Name | 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one |
InChI Key | QHMTXANCGGJZRX-WUXMJOGZSA-N |
InChI | InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+ |
Canonical SMILES | CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2 |
Isomeric SMILES | CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 |
Synonyms | Pymetrozine 123312-89-0 Chess Endeavor Pymetrozin Fulfill Plenum CGA 215944 UNII-F0G3V7874J HSDB 7054 |
Classifies | Pesticide |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Organic compounds |
Superclass | Organoheterocyclic compounds |
Class | Triazines |
Subclass | 1,2,4-triazines |
Intermediate Tree Nodes | Not available |
Direct Parent | 1,2,4-triazines |
Alternative Parents | |
Molecular Framework | Aromatic heteromonocyclic compounds |
Substituents | 1,2,4-triazine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
Description | This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 217.232 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Complexity | 325 |
Monoisotopic Mass | 217.096 |
Exact Mass | 217.096 |
XLogP | 0 |
Formal Charge | 0 |
Heavy Atom Count | 16 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 1 |
ADMET
Model | Result | Probability |
---|---|---|
Absorption | ||
Blood-Brain Barrier | BBB+ | 0.9455 |
Human Intestinal Absorption | HIA+ | 0.9957 |
Caco-2 Permeability | Caco2+ | 0.5612 |
P-glycoprotein Substrate | Non-substrate | 0.5627 |
P-glycoprotein Inhibitor | Non-inhibitor | 0.7145 |
Non-inhibitor | 0.9767 | |
Renal Organic Cation Transporter | Non-inhibitor | 0.6137 |
Distribution | ||
Subcellular localization | Mitochondria | 0.7928 |
Metabolism | ||
CYP450 2C9 Substrate | Non-substrate | 0.5731 |
CYP450 2D6 Substrate | Non-substrate | 0.7986 |
CYP450 3A4 Substrate | Substrate | 0.5836 |
CYP450 1A2 Inhibitor | Inhibitor | 0.5229 |
CYP450 2C9 Inhibitor | Non-inhibitor | 0.7997 |
CYP450 2D6 Inhibitor | Non-inhibitor | 0.9257 |
CYP450 2C19 Inhibitor | Non-inhibitor | 0.7743 |
CYP450 3A4 Inhibitor | Non-inhibitor | 0.9092 |
CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8285 |
Excretion | ||
Toxicity | ||
Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.7510 |
Non-inhibitor | 0.7971 | |
AMES Toxicity | AMES toxic | 0.5175 |
Carcinogens | Non-carcinogens | 0.8885 |
Fish Toxicity | High FHMT | 0.6842 |
Tetrahymena Pyriformis Toxicity | High TPT | 0.9275 |
Honey Bee Toxicity | Low HBT | 0.8681 |
Biodegradation | Not ready biodegradable | 1.0000 |
Acute Oral Toxicity | III | 0.6702 |
Carcinogenicity (Three-class) | Non-required | 0.6160 |
Model | Value | Unit |
---|---|---|
Absorption | ||
Aqueous solubility | -2.2252 | LogS |
Caco-2 Permeability | 1.1744 | LogPapp, cm/s |
Distribution | ||
Metabolism | ||
Excretion | ||
Toxicity | ||
Rat Acute Toxicity | 2.4775 | LD50, mol/kg |
Fish Toxicity | 2.0199 | pLC50, mg/L |
Tetrahymena Pyriformis Toxicity | 0.4705 | pIGC50, ug/L |
MRLs
Food | Product Code | Country | MRLs | Application Date | Notes |
---|---|---|---|---|---|
Hop | Britain | 15mg/kg | |||
Tea | Britain | 0.1mg/kg | |||
Ware Potatoes | Britain | 0.02mg/kg | |||
Early Potatoes | Britain | 0.02mg/kg | |||
Other Oilseeds | Britain | 0.02mg/kg | |||
Hemp Seed | Britain | 0.02mg/kg | |||
Cotton Seed | Britain | 0.05mg/kg | |||
Mustard Seed | Britain | 0.02mg/kg | |||
Soya Bean | Britain | 0.02mg/kg | |||
Rape Seed | Britain | 0.02mg/kg | |||
Sunflower Seed | Britain | 0.02mg/kg | |||
Sesame Seed | Britain | 0.02mg/kg | |||
Poppy Seed | Britain | 0.02mg/kg | |||
Peanuts | Britain | 0.02mg/kg | |||
Borage | Britain | 0.02mg/kg | |||
Linseed | Britain | 0.02mg/kg | |||
Other Pulses | Britain | 0.02mg/kg | |||
Lupins | Britain | 0.02mg/kg | |||
Peas | Britain | 0.02mg/kg | |||
Lentils | Britain | 0.02mg/kg |
References
Title | Journal | Date | Pubmed ID |
---|---|---|---|
Development and validation of a LC-MS/MS method for quantitation of fosfomycin - Application to in vitro antimicrobial resistance study using hollow-fiberinfection model. | Biomed Chromatogr | 2018 Jun | 29461629 |
Herbicide discovery in light of rapidly spreading resistance and ever-increasing regulatory hurdles. | Pest Manag Sci | 2017 Oct 20 | 29053214 |
Deciphering the influence of column chemistry and mass spectrometry settings for the analyses of geometrical isomers of L-chicoric acid. | J Chromatogr B Analyt Technol Biomed Life Sci | 2017 May 1 | 28364699 |
Possibility and Challenges of Conversion of Current Virus Species Names toLinnaean Binomials. | Syst Biol | 2017 May 1 | 27798405 |
Occurrence of commonly used pesticides in personal air samples and theirassociated health risk among paddy farmers. | Sci Total Environ | 2017 Dec 15 | 28633115 |
Phage-mediated dissemination of virulence factors in pathogenic bacteriafacilitated by antibiotic growth promoters in animals: a perspective. | Anim Health Res Rev | 2017 Dec | 29183407 |
Phylodynamics of foot-and-mouth disease virus O/PanAsia in Vietnam 2010-2014. | Vet Res | 2017 Apr 13 | 28403902 |
Star Anise (Illicium verum Hook. f.) as Quorum Sensing and Biofilm FormationInhibitor on Foodborne Bacteria: Study in Milk. | J Food Prot | 2017 Apr | 28294685 |
Molecular perspectives and recent advances in microbial remediation of persistent organic pollutants. | Environ Sci Pollut Res Int | 2016 Sep | 27234838 |
Prevalence of the Antibiotic Resistance Genes in Coagulase-Positive-andNegative-Staphylococcus in Chicken Meat Retailed to Consumers. | Front Microbiol | 2016 Nov 22 | 27920760 |
Single particle ICP-MS method development for the determination of plant uptakeand accumulation of CeO2 nanoparticles. | Anal Bioanal Chem | 2016 Jul | 27129977 |
Multifaceted roles of aquaporins as molecular conduits in plant responses toabiotic stresses. | Crit Rev Biotechnol | 2016 | 25430890 |
Glucosinolate Accumulation and Related Gene Expression in Pak Choi (Brassica rapaL. ssp. chinensis var. communis [N. Tsen & S.H. Lee] Hanelt) in Response toInsecticide Application. | J Agric Food Chem | 2015 Nov 11 | 26485123 |
What Can We Learn from a Metagenomic Analysis of a Georgian BacteriophageCocktail? | Viruses | 2015 Dec 12 | 26703713 |
Effect of insecticide-treated potato plants on aphid behavior and potato virus Y acquisition. | Pest Manag Sci | 2015 Aug | 25159012 |
Phytomelatonin: assisting plants to survive and thrive. | Molecules | 2015 Apr 22 | 25911967 |
A matrix sensitive gas chromatography method for the analysis of pymetrozine inred pepper: application to dissipation pattern and PHRL. | Food Chem | 2014 Mar 1 | 24176366 |
Effect of new and old pesticides on Orius armatus (Gross) - an Australian predator of western flower thrips, Frankliniella occidentalis (Pergande). | Pest Manag Sci | 2014 Mar | 23616278 |
Thiourea, a ROS scavenger, regulates source-to-sink relationship to enhance crop yield and oil content in Brassica juncea (L.). | PLoS One | 2013 Sep 18 | 24058504 |
Reduction of hazardous organic solvent in sample preparation for hydrophilicpesticide residues in agricultural products with conventional liquidchromatography. | J Agric Food Chem | 2013 May 22 | 23614723 |