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Chemical structure of TW-37

GC12649

TW-37

Also known as N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide

An inhibitor of the Bcl-2 family proteins

ChemicalCAS877877-35-5MW573.7FormulaC33H35NO6S
CAS number
877877-35-5
Molecular weight
573.7
Formula
C33H35NO6S
Solubility
≥ 19·75 mg/mL in DMSO, ≥ 3·41 mg/mL in EtOH with ultrasonic and warming
InChIKey
PQAPVTKIEGUPRN-UHFFFAOYSA-N
Catalogue number
GC12649
Brand
GLPBIO
Computed properties PubChem CID 11455910 · XLogP 7.8 · TPSA 132 Ų · H-bond donors 4
XLogP
7.8
TPSA
132 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
41

SMILES CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C

Computed descriptors from PubChem (CID 11455910), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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