Iodine-131 (T3D0132)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (11)XML
Targets (11)
Record Information
Version2.0
Creation Date2009-03-06 18:58:08 UTC
Update Date2014-12-24 20:21:10 UTC
Accession NumberT3D0132
Identification
Common NameIodine-131
ClassSmall Molecule
DescriptionIodine 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 (1) and triiodothyronine (2). 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. (6, 7)
Compound Type
  • Halogen
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Natural Compound
  • Non-Metal
  • Pollutant
  • Radioactive
  • Radioactive Isotope
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
(131)I
131I
Iodine 131
Iodine, isotope of mass 131
Chemical FormulaI
Average Molecular Mass130.906 g/mol
Monoisotopic Mass130.906 g/mol
CAS Registry Number10043-66-0
IUPAC Name(¹³¹I)iodanyl
Traditional Name(¹³¹I)iodanyl
SMILES[131I]
InChI IdentifierInChI=1S/I/i1+4
InChI KeyInChIKey=ZCYVEMRRCGMTRW-RNFDNDRNSA-N
Chemical Taxonomy
Description 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.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceGrey solid.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
logP1.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.95 m³·mol⁻¹ChemAxon
Polarizability5.07 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-56e25af76408c660b1122019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-56e25af76408c660b1122019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-56e25af76408c660b1122019-02-22View Spectrum
Toxicity Profile
Route of ExposureOral (5) ; Inhalation (5) ; Dermal (5)
Mechanism of ToxicityIodide 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. The ionizing radiation produced by radioiodine causes cellular damage that includes DNA breakage, accurate or inaccurate repair, apoptosis, gene mutations, chromosomal change, and genetic instability. This leads to loss of normal cell and tissue homeostasis, and development of malignancy. Ionizing radiation that does not directly damage DNA can produce reactive oxygen intermediates that directly affect the stability of p53, an important enzyme in cell-cycle regulation, and produce oxidative damage to individual bases in DNA and point mutations by mispairing during DNA replication. (4, 10, 5)
MetabolismIodine can enter the body following ingestion, inhalaiton, or dermal exposure. In the body, iodine and iodide accumulates in the thyroid gland, where it is used for producing the thyroid hormones T4 and T3. Iodide in the thyroid gland is incorporated into a protein, thyroglobulin, as covalent complexes with tyrosine residues. The iodination of thyroglobulin is catalyzed by the enzyme thyroid peroxidase. The iodination reactions occur at the follicular cell-lumen interface and consist of the oxidation of iodide to form a reactive intermediate, the formation of monoiodotyrosine and diiodotyrosine residues in thyroglobulin, and the coupling of theiodinated tyrosine residues to form T4 (coupling of two diiodotyrosine residues) or T3 (coupling of a monoiodotyrosine and diiodotyrosine residue) in thyroglobulin. The major pathways of metabolism of iodine that occur outside of the thyroid gland involve the catabolism of T4 and T3, and include deiodination reactions, ether bond cleavage of thyronine, oxidative deamination and decarboxylation of the side chain of thyronine, and conjugation of the phenolic hydroxyl group on thyronine with glucuronic acid and sulfate. Absorbed iodine is excreted primarily in the urine and feces, but is also excreted in breast milk, exhaled air, sweat, and tears. (5)
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (3)
Uses/SourcesIodine-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. (7)
Minimum Risk LevelNot Available
Health EffectsExposure to high levels of nonradioactive and radioactive iodine can damage the thyroid. Damage to the thyroid gland can result in effects in other parts of your body, such as your skin, lung, and reproductive organs. Concentrated iodine is very corrosive and can damage the mucous membrane if swallowed. Radioactive iodine can also cause cancer, especially of the thyroid, where it tends to concentrate. (5, 7, 8)
SymptomsIngestion of iodine may cause corrosive effects such as oedema of the glottis, with asphyxia, aspiration pneumonia, pulmonary oedema and shock, as well as vomiting and bloody diarrhea. The CNS, cardiovascular and renal toxicity following acute iodine ingestion appear to be due to the corrosive gastroenteritis and resultant shock. Vomiting, hypotension and circulatory collapse may be noted following severe intoxication. Exposure to high doses of ionizing radiation results in acute radiation syndrome, which can cause skin burns, hair loss, nausea, vomiting, dizziness, disorientation, low blood pressure, headache, fatigue, weakness, fever, birth defects, illness, infection, and death. (4, 9, 8)
TreatmentSodium thiosulphate, 100 mL orally of a 1% solution, has been recommended as an antidote because it immediately reduces iodine to iodide. Treatment reversing the effects of irradiation is currently not possible. Anaesthetics and antiemetics are administered to counter the symptoms of exposure, as well as antibiotics for countering secondary infections due to the resulting immune system deficiency. (9, 8)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID24855
ChEMBL IDNot Available
ChemSpider IDNot Available
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI IDNot Available
BioCyc IDNot Available
CTD IDNot Available
Stitch IDIodine-131
PDB IDNot Available
ACToR IDNot Available
Wikipedia LinkNot Available
References
Synthesis ReferenceNot Available
MSDST3D0132.pdf
General References
  1. Ellenhorn MJ and Barceloux DG (1988). Diagnosis and treatment of human poisoning. Medical Toxicology. New York, New York: Elsevier Science Publishing Company, Inc.
  2. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  3. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
  4. ATSDR - Agency for Toxic Substances and Disease Registry (1999). Toxicological profile for ionizing radiation. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  5. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  6. Wikipedia. Iodine. Last Updated 23 August 2009. [Link]
  7. Wikipedia. Iodine-131. Last Updated 21 August 2009. [Link]
  8. International Programme on Chemical Safety (IPCS) INCHEM (1990). Poison Information Monograph for Iodine. [Link]
  9. Wikipedia. Radiation poisoning. Last Updated 22 August 2009. [Link]
  10. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Toxicological profile for plutonium. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

Target Details
1. Adenylate cyclase type 1
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
2. Adenylate cyclase type 10
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
3. Adenylate cyclase type 2
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
4. Adenylate cyclase type 3
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
5. Adenylate cyclase type 4
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
6. Adenylate cyclase type 5
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
7. Adenylate cyclase type 6
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
8. Adenylate cyclase type 7
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
9. Adenylate cyclase type 8
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
10. Adenylate cyclase type 9
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
References
  1. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  2. ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for iodine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
11. DNA
General Function:
Used for biological information storage.
Specific Function:
DNA contains the instructions needed for an organism to develop, survive and reproduce.
Molecular Weight:
2.15 x 1012 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (1999). Toxicological profile for ionizing radiation. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]