KOS-953, 17-AAG, CP-127374, NSC-330507D, NSC-330507, -Drug Synthesis Database

【结构式】

【药物名称】KOS-953, 17-AAG, CP-127374, NSC-330507D, NSC-330507

【化学名称】(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(Allylamino)-9-(carbamoyloxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione
　　　　　　17-(Allylamino)-17-demethoxygeldanamycin

【CA登记号】75747-14-7

【分子式】C₃₁H₄₃N₃O₈

【分子量】585.70366

【开发单位】Pfizer (Originator), Kosan (Codevelopment), National Cancer Institute (Codevelopment)

【药理作用】Breast Cancer Therapy, Leukemia Therapy, Lymphoma Therapy, Myeloid Leukemia Therapy, Oncolytic Drugs, Prostate Cancer Therapy, Solid Tumors Therapy, Heat Shock Protein 90 (hsp90) Binding Agents, Inhibitors of Signal Transduction Pathways

合成路线1

The title compound was prepared by displacement of the 17-methoxy group of geldanamycin (I) with allylamine (II) in chloroform at room temperature.

参考文献中间体

【1】 Schnur, R.C.; et al.; erbB-2 oncogene inhibition by geldanamycin derivatives: Synthesis, mechanism of action, and structure-activity relationships. J Med Chem 1995, 38, 19, 3813.
【2】 Inoue, Y.; Sasaki, K. (Kaken Pharmaceutical Co., Ltd.); Geldanamycin derivs. and antitumor drug. US 4261989 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	54980	(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate		C₂₉H₄₀N₂O₉	详情	详情
(II)	13672	Allylamine; 2-Propen-1-amine	107-11-9	C₃H₇N	详情	详情

Extended Information

Drug NewChemical Entity Original Patent(1)