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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:
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.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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