CHEBI:8502 - 6-propyl-2-thiouracil

ChEBI IDCHEBI:8502
ChEBI Name6-propyl-2-thiouracil
Stars
DefinitionA pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.
Last Modified26 August 2022
DownloadsMolfile
FormulaC7H10N2OS
Net Charge0
Average Mass170.237
Monoisotopic Mass170.05138
SMILESCCCc1cc(=O)nc(=S)n1
InChIInChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyKNAHARQHSZJURB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
EC 1.14.13.39 (nitric oxide synthase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39).
hormone antagonist  A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
antimetabolite  A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
Applications:
hormone antagonist  A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
antidote to paracetamol poisoning  A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen).
ChEBI Ontology
Outgoing Relation(s)
6-propyl-2-thiouracil (CHEBI:8502) has functional parent uracil (CHEBI:17568)
6-propyl-2-thiouracil (CHEBI:8502) has role antidote to paracetamol poisoning (CHEBI:74529)
6-propyl-2-thiouracil (CHEBI:8502) has role antimetabolite (CHEBI:35221)
6-propyl-2-thiouracil (CHEBI:8502) has role antioxidant (CHEBI:22586)
6-propyl-2-thiouracil (CHEBI:8502) has role antithyroid drug (CHEBI:50671)
6-propyl-2-thiouracil (CHEBI:8502) has role carcinogenic agent (CHEBI:50903)
6-propyl-2-thiouracil (CHEBI:8502) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
6-propyl-2-thiouracil (CHEBI:8502) has role hormone antagonist (CHEBI:49020)
6-propyl-2-thiouracil (CHEBI:8502) is a pyrimidinethione (CHEBI:48546)
Incoming Relation(s)
6-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CHEBI:140206) has functional parent 6-propyl-2-thiouracil (CHEBI:8502)
IUPAC Name 
6-propyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
INNs  Source
propiltiouraciloChemIDplus
propylthiouracilChemIDplus
propylthiouracileChemIDplus
propylthiouracilumChemIDplus
Synonyms  Source
2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinoneNIST Chemistry WebBook
2-Mercapto-6-propyl-4-pyrimidoneChemIDplus
2-Mercapto-6-propylpyrimid-4-oneNIST Chemistry WebBook
2-Thio-4-oxo-6-propyl-1,3-pyrimidineChemIDplus
2-Thio-6-propyl-1,3-pyrimidin-4-oneChemIDplus
4-propyl-2-thiouracilChemIDplus
Manual XrefsDatabases
2308DrugCentral
C07569KEGG COMPOUND
D00562KEGG DRUG
DB00550DrugBank
HMDB0014690HMDB
LSM-5592LINCS
PropylthiouracilWikipedia
Registry NumbersSources
Reaxys:130039Reaxys
Gmelin:1998546Gmelin
CAS:51-52-5NIST Chemistry WebBook
CAS:51-52-5KEGG COMPOUND
CAS:51-52-5ChemIDplus
Citations