Iodine-131
(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 | Iodine-131(F03375) |
| 2D Structure | |
| Description | Iodine is a chemical element that has the symbol I and atomic number 53. Chemically, iodine is the second least reactive of the halogens, and the second most electropositive halogen; trailing behind astatine in both of these categories. However, the element does not occur in the free state in nature. As with all other halogens, when freed from its compounds iodine forms diatomic molecules. Iodine naturally occurs in the environment chiefly as a dissolved iodide in seawater, although it is also found in some minerals and soils. Iodine is an essential trace element for life, mainly as constituents of the thyroid hormones, thyroxine (T4) and triiodothyronine (T3). Iodine-131 is used in nuclear medicine both diagnostically and therapeutically. Examples of its use in radiation therapy include the treatment of thyrotoxicosis and thyroid cancer. Diagnostic tests exploit the mechanism of absorption of iodine by the normal cells of the thyroid gland. Iodine-131 is also used as a radioactive label for radiopharmaceuticals that can be used for imaging and therapy. (L1845, L1846) |
| FRCD ID | F03375 |
| CAS Number | 10043-66-0 |
| PubChem CID | 24855 |
| Formula | I2 |
| IUPAC Name | None |
| InChI Key | PNDPGZBMCMUPRI-HVTJNCQCSA-N |
| InChI | InChI=1S/I2/c1-2/i1+4,2+4 |
| Canonical SMILES | II |
| Isomeric SMILES | [131I][131I] |
| Synonyms |
Radioactive iodine-I131
IODINE-131
I-131
Iodine 131
Iodine I 131
Radioactive iodine (131I)
Iodine, mol. (131I2)
Iodine, isotope of mass 131
Iodine, labeled with iodine-131
I 131
|
| Classifies |
Pollutant
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous non-metal compounds |
| Class | Homogeneous halogens |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous halogens |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Homogeneous halogen |
| Description | This compound belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 261.812 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 261.812 |
| Exact Mass | 261.812 |
| XLogP | 1.7 |
| Formal Charge | 0 |
| Heavy Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 2 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9786 |
| Human Intestinal Absorption | HIA+ | 0.9789 |
| Caco-2 Permeability | Caco2+ | 0.6632 |
| P-glycoprotein Substrate | Non-substrate | 0.8984 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9714 |
| Non-inhibitor | 0.9923 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9210 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.4849 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8498 |
| CYP450 2D6 Substrate | Non-substrate | 0.7906 |
| CYP450 3A4 Substrate | Non-substrate | 0.7855 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.6150 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8120 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8992 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8566 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9008 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8954 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9452 |
| Non-inhibitor | 0.9710 | |
| AMES Toxicity | Non AMES toxic | 0.8029 |
| Carcinogens | Carcinogens | 0.7427 |
| Fish Toxicity | High FHMT | 0.5399 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.7649 |
| Honey Bee Toxicity | High HBT | 0.8218 |
| Biodegradation | Not ready biodegradable | 0.7303 |
| Acute Oral Toxicity | II | 0.4901 |
| Carcinogenicity (Three-class) | Non-required | 0.5481 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -2.0560 | LogS |
| Caco-2 Permeability | 1.5452 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 3.0004 | LD50, mol/kg |
| Fish Toxicity | 0.3763 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.3688 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Current Concepts in the Molecular Genetics and Management of Thyroid Cancer: An Update for Radiologists. | Radiographics | 2016 Sep-Oct | 27618325 |
| Development of a single-chain variable fragment antibody-based enzyme-linked immunosorbent assay for determination of fumonisin B₁ in corn samples. | J Sci Food Agric | 2014 Jul | 24375282 |
| Label-free homogeneous FRET immunoassay for the detection of mycotoxins that utilizes quenching of the intrinsic fluorescence of antibodies. | Biosens Bioelectron | 2013 Apr 15 | 23220067 |
| Monoclonal antibody therapy. | Front Biosci | 2006 May 1 | 16368542 |
| Toxicity and biodistribution of an iodine-131-radiolabelled tumour necrosis-targeting antibody in non-tumour-bearing domestic felines. | Vet Comp Oncol | 2006 Mar | 19754825 |
| Locations around the Hanford Nuclear Facility where average milk consumption by children in 1945 would have resulted in an estimated median iodine-131 dose to the thyroid of 10 rad or higher, Washington. | J Public Health Manag Pract | 1999 Mar | 10537816 |
| The treatment of benign thyroid disease. | Semin Nucl Med | 1979 Apr | 482954 |
Targets
- General Function:
- Metal ion binding
- Specific Function:
- This is a membrane-bound, calcium-inhibitable adenylyl cyclase.
- Gene Name:
- ADCY7
- Uniprot ID:
- P51828
- Molecular Weight:
- 120307.175 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- This is a membrane-bound, calcium-stimulable adenylyl cyclase. May be involved in learning, in memory and in drug dependence (By similarity).
- Gene Name:
- ADCY8
- Uniprot ID:
- P40145
- Molecular Weight:
- 140120.79 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Manganese ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP (PubMed:12609998, PubMed:15659711, PubMed:24616449, PubMed:25040695, PubMed:24567411). May function as sensor that mediates responses to changes in cellular bicarbonate and CO(2) levels (PubMed:15659711, PubMed:17591988). Has a critical role in mammalian spermatogenesis by producing the cAMP which regulates cAMP-responsive nuclear factors indispensable for sperm maturation in the epididymis. Induces capacitation, the maturational process that sperm undergo prior to fertilization (By similarity). Involved in ciliary beat regulation (PubMed:17591988).
- Gene Name:
- ADCY10
- Uniprot ID:
- Q96PN6
- Molecular Weight:
- 187147.545 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Protein heterodimerization activity
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642). Down-stream signaling cascades mediate changes in gene expression patterns and lead to increased IL6 production. Functions in signaling cascades downstream of the muscarinic acetylcholine receptors (By similarity).
- Gene Name:
- ADCY2
- Uniprot ID:
- Q08462
- Molecular Weight:
- 123602.25 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling. Participates in signaling cascades triggered by odorant receptors via its function in cAMP biosynthesis. Required for the perception of odorants. Required for normal sperm motility and normal male fertility. Plays a role in regulating insulin levels and body fat accumulation in response to a high fat diet.
- Gene Name:
- ADCY3
- Uniprot ID:
- O60266
- Molecular Weight:
- 128958.905 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling.
- Gene Name:
- ADCY4
- Uniprot ID:
- Q8NFM4
- Molecular Weight:
- 119792.94 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Adenylyl cyclase that catalyzes the formation of the signaling molecule cAMP in response to activation of G protein-coupled receptors (PubMed:9628827, PubMed:12972952, PubMed:15879435, PubMed:10987815). Contributes to signaling cascades activated by CRH (corticotropin-releasing factor), corticosteroids and beta-adrenergic receptors (PubMed:9628827).
- Gene Name:
- ADCY9
- Uniprot ID:
- O60503
- Molecular Weight:
- 150699.36 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling. Mediates responses to increased cellular Ca(2+)/calmodulin levels (By similarity). May be involved in regulatory processes in the central nervous system. May play a role in memory and learning. Plays a role in the regulation of the circadian rhythm of daytime contrast sensitivity probably by modulating the rhythmic synthesis of cyclic AMP in the retina (By similarity).
- Gene Name:
- ADCY1
- Uniprot ID:
- Q08828
- Molecular Weight:
- 123438.85 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Protein heterodimerization activity
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642, PubMed:26206488, PubMed:24700542). Mediates signaling downstream of ADRB1 (PubMed:24700542). Regulates the increase of free cytosolic Ca(2+) in response to increased blood glucose levels and contributes to the regulation of Ca(2+)-dependent insulin secretion (PubMed:24740569).
- Gene Name:
- ADCY5
- Uniprot ID:
- O95622
- Molecular Weight:
- 138906.37 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Protein kinase binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP downstream of G protein-coupled receptors (PubMed:17916776, PubMed:17110384). Functions in signaling cascades downstream of beta-adrenergic receptors in the heart and in vascular smooth muscle cells (PubMed:17916776). Functions in signaling cascades downstream of the vasopressin receptor in the kidney and has a role in renal water reabsorption. Functions in signaling cascades downstream of PTH1R and plays a role in regulating renal phosphate excretion. Functions in signaling cascades downstream of the VIP and SCT receptors in pancreas and contributes to the regulation of pancreatic amylase and fluid secretion (By similarity). Signaling mediates cAMP-dependent activation of protein kinase PKA. This promotes increased phosphorylation of various proteins, including AKT. Plays a role in regulating cardiac sarcoplasmic reticulum Ca(2+) uptake and storage, and is required for normal heart ventricular contractibility. May contribute to normal heart function (By similarity). Mediates vasodilatation after activation of beta-adrenergic receptors by isoproterenol (PubMed:17916776). Contributes to bone cell responses to mechanical stimuli (By similarity).
- Gene Name:
- ADCY6
- Uniprot ID:
- O43306
- Molecular Weight:
- 130614.095 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.