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CHEBI:95008 - TW-37

Default Structure
ChEBI IDCHEBI:95008
ChEBI NameTW-37
Stars
DefinitionA 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).
Last Modified17 July 2024
DownloadsMolfile
FormulaC33H35NO6S
Net Charge0
Average Mass573.711
Monoisotopic Mass573.21851
SMILESCC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O
InChIInChI=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)
InChIKeyPQAPVTKIEGUPRN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
radiosensitizing agent  A drug that makes increases the sensitivity of tumour cells to radiation therapy.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-[4-[[2-(1,1-dimethylethyl)phenyl]sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methylethyl)phenyl]methyl]-benzamideChEBI
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamideChEBI
TW 37ChEBI
TW37ChEBI
Manual XrefsDatabases
DB17059DrugBank
LSM-6236LINCS
Registry NumbersSources
CAS:877877-35-5ChEBI
Citations