NSC-632839, ubiquitin isopeptidase inhibitor

Key facts

CAS number

157654-67-6

Purity

>98%

Form

Solid

form

Molecular weight

339.9 Da

Molecular formula

C₂₁H₂₂ClNO

PubChem

5351362

Nature

Synthetic

Solubility

Soluble in DMSO to 10 mM (with warming)

Biochemical name

NSC 632839 hydrochloride

Biological description

Nonselective ubiquitin isopeptidase inhibitor (IC₅₀ values are 45, 37 and 9.8 μM for USP2, USP7 and SENP2 respectively). Induces apoptosome-independent apoptosis and caspase activation. Antitumor agent.

Canonical smiles

CC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)C)C2=O.Cl

Isomeric smiles

CC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CNC2.Cl

InChi

InChI=1S/C21H21NO.ClH/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18;/h3-12,22H,13-14H2,1-2H3;1H/b19-11+,20-12+;

InChiKey

ZOKZLTXPTLIWOJ-BYCVLTJGSA-N

IUPAC Name

(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one;hydrochloride