TW-37

주요 정보

CAS 번호

877877-35-5

Purity

>98%

제형

Solid

form

Molecular weight

573.7 Da

Molecular formula

C₃₃H₃₅NO₆S

PubChem

11455910

Nature

Synthetic

Solubility

Soluble in DMSO to 25 mM

생화학적 명칭

N-[4-(2-tert-Butylphenylsulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide

생물학적 정보

Small-molecule inhibitor of BCL-2 (K_i = 0.29 μM). Inhibits multiple BCL-2 family members including BCL-XL (K_i = 1.11 μM) and MCL-1 (K_i = 0.26 μM). Binds to the BCL-2 homology domain 3 (BH3) groove of BCL-2. Significant anti-proliferative and pro-apoptotic activity in lymphoma cells.

Canonical 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

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

IUPAC Name

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