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NSC 721648 , CAS No.872726-44-8
an antiproliferative benzothiazole compound
Basic Description Synonyms 872726-44-8 | GW 610 | NSC 721648 | Benzothiazole, 2-(3,4-dimethoxyphenyl)-5-fluoro- | GW-610 | UNII-X3XWA9LQ3Q | X3XWA9LQ3Q | 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | NSC-721648 | 2-(3,4-dimethoxyphenyl)-5-fluoro-1,3-benzothiazole | CHEMBL373251 | NCI60_041560 | 5-fluoro Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Product Description 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 (GI|50|<1 nM), while showing much reduced effect against 50 other human tumor cells in a panel screening. Although it is a high affinity AhR ligand (IC|50|= 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.
Product Properties pKa pKa: 0.73 (Predicted) Ki Data High affinity AhR ligand: Ki= 6.8 nM
Associated Targets(Human) Names and Identifiers IUPAC Name 2-(3,4-dimethoxyphenyl)-5-fluoro-1,3-benzothiazole INCHI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3 InChi Key ZRLSVQBGBBYEAZ-UHFFFAOYSA-N Canonical SMILES COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)OC Isomeric SMILES COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)OC PubChem CID 6712941 Molecular Weight 289.32
Chemical and Physical Properties Solubility 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). Refractive Index n20D1.62 (Predicted) Boil Point(°C) ~422.8° C at 760 mmHg (Predicted) Melt Point(°C) 164.87° C (Predicted)
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