CHEBI:95008 - TW-37

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ChEBI Name TW-37
ChEBI ID CHEBI:95008
Definition A secondary carboxamide resulting from the formal condensation of the carboxy group of 2,3,4-trihydroxy-5-[2-(propan-2-yl)benzyl]benzoic acid with the amino group of 4-[(2-tert-butylphenyl)sulfonyl]aniline. It is a potent inhibitor of Bcl-2 family of proteins (Ki = 260, 290 and 1110 nM for Mcl-1, Bcl-2 and Bcl-xL).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H35NO6S
Net Charge 0
Average Mass 573.700
Monoisotopic Mass 573.21851
InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
InChIKey PQAPVTKIEGUPRN-UHFFFAOYSA-N
SMILES CC(C)C1=CC=CC=C1CC1=C(O)C(O)=C(O)C(=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C
Roles Classification
Biological Role(s): B-cell lymphoma 2 inhibitor
Any inhibitor of B-cell lymphoma 2 protein.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
radiosensitizing agent
A drug that makes increases the sensitivity of tumour cells to radiation therapy.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing TW-37 (CHEBI:95008) has role angiogenesis inhibitor (CHEBI:48422)
TW-37 (CHEBI:95008) has role antineoplastic agent (CHEBI:35610)
TW-37 (CHEBI:95008) has role apoptosis inducer (CHEBI:68495)
TW-37 (CHEBI:95008) has role B-cell lymphoma 2 inhibitor (CHEBI:133022)
TW-37 (CHEBI:95008) has role radiosensitizing agent (CHEBI:132992)
TW-37 (CHEBI:95008) is a benzamides (CHEBI:22702)
TW-37 (CHEBI:95008) is a benzenetriol (CHEBI:22707)
TW-37 (CHEBI:95008) is a secondary carboxamide (CHEBI:140325)
TW-37 (CHEBI:95008) is a sulfone (CHEBI:35850)
IUPAC Name
N-{4-[(2-tert-butylphenyl)sulfonyl]phenyl}-2,3,4-trihydroxy-5-[2-(propan-2-yl)benzyl]benzamide
Synonyms Sources
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide ChEBI
N-[4-[[2-(1,1-dimethylethyl)phenyl]sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methylethyl)phenyl]methyl]-benzamide ChEBI
TW 37 ChEBI
TW37 ChEBI
Manual Xrefs Databases
DB17059 DrugBank
LSM-6236 LINCS
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Registry Number Type Source
877877-35-5 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
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Last Modified
17 July 2024