NSC 721648 is a cell-permeable benzothiazole compound that exhibits potent in vitro antiproliferative activity against HCC 2998, IGROV1, MCF-7, MDA 468, SR, and T-47D (GI₅₀ <1 nm), while showing much reduced effect against 50 other human tumor cells in a panel screening. although it is high affinity ahr ligand (ic₅₀ = 25 nM; K_i = 6.8 nM in a TCDD competitive binding study) and a known CYP1A1 inducer, neither property can fully account for its antitumor activity.

An antiproliferative benzothiazole compound

Store at -20° C

Solid

Crystalline

~1.3 g/cm³ (Predicted)

164.87° C (Predicted)

~422.8° C at 760 mmHg (Predicted)

n²⁰_D 1.62 (Predicted)

High affinity AhR ligand: IC₅₀ = 25 nM

pK_b: 0.73 (Predicted)

High affinity AhR ligand: K_i= 6.8 nM

Soluble in DMSO (5 mg/ml), DMF (10 mg/ml), 1: 3 solution of DMF: PBS (pH 7.2) (~0.25 mg/ml), and water (0.25 mg/ml at 25° C).

MFCD12024619

6712941