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CHEBI:231413 - sulfopin

ChEBI IDCHEBI:231413
ChEBI Namesulfopin
Stars
DefinitionA sulfone that is thiolane substituted by two oxo groups at position 1 and by a (chloroacetyl)(2,2-dimethylpropyl)amino group at position 3. It is a covalent inhibitor of Pin1 (Ki = 17 nM) that inhibits Myc-driven tumors in vivo.
Last Modified21 May 2024
Submitterjonmuyskens
DownloadsMolfile
FormulaC11H20ClNO3S
Net Charge0
Average Mass281.805
Monoisotopic Mass281.08524
SMILESCC(C)(C)CN(C(=O)CCl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3
InChIKeyNMHVAHHYKGXBMY-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 5.2.* (cis-trans-isomerase) inhibitor  An isomerase inhibitor interfering with the action of a cis-trans-isomerase (EC 5.2.*.*).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
sulfopin (CHEBI:231413) has role antineoplastic agent (CHEBI:35610)
sulfopin (CHEBI:231413) has role EC 5.2.* (cis-trans-isomerase) inhibitor (CHEBI:76693)
sulfopin (CHEBI:231413) is a organochlorine compound (CHEBI:36683)
sulfopin (CHEBI:231413) is a sulfone (CHEBI:35850)
sulfopin (CHEBI:231413) is a tertiary carboxamide (CHEBI:140326)
sulfopin (CHEBI:231413) is a tetrahydrothiophenes (CHEBI:48224)
IUPAC Name 
2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Synonyms  Source
PIN1-3ChEBI
2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1λ6-thiolan-3-yl)acetamideIUPAC
2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-neopentylacetamideChEBI
Registry NumbersSources
CAS:2451481-08-4ChEBI
Citations