CHEBI:231413 - sulfopin

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ChEBI Name sulfopin
ChEBI ID CHEBI:231413
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jonathan Muyskens
Supplier Information
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Formula C11H20ClNO3S
Net Charge 0
Average Mass 281.800
Monoisotopic Mass 281.08524
InChI InChI=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
InChIKey NMHVAHHYKGXBMY-UHFFFAOYSA-N
SMILES CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl
Roles Classification
Biological Role(s): EC 5.2.* (cis-trans-isomerase) inhibitor
An isomerase inhibitor interfering with the action of a cis-trans-isomerase (EC 5.2.*.*).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-neopentylacetamide ChEBI
2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1λ6-thiolan-3-yl)acetamide IUPAC
PIN1-3 ChEBI
Registry Number Type Source
2451481-08-4 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
33972797 PubMed citation Europe PMC
38167292 PubMed citation Europe PMC
38550694 PubMed citation Europe PMC
Last Modified
21 May 2024