(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid -Drug Synthesis Database

【结构式】

【分子编号】53735

【品名】(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

【CA登记号】n/a

【分子式】C₂₄H₃₈O₄

【分子量】390.56332

【元素组成】C 73.81% H 9.81% O 16.39%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(LI)

Alternatively, intermediate (XLVIII) can also be obtained by Oppenauer oxidation of chenodeoxycholic acid (XLIV) to yield ketone (LI), which is further oxidized employing SeO2 to provide conjugate ketone (LII). Birch reduction of (LII) with lithium in liquid ammonia led to the trans-fused A-B ring compound (XLVIII).

参考文献中间体

合成目标

【1】 Moriarty, R.M.; Guo, L.; Tuladhar, S.M. (Genaera Corp.); Chemical synthesis of squalamine. WO 9419366 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(XLIV)	53278	(2R)-1-[3-(trifluoromethyl)phenoxy]-3-butyn-2-ol	n/a	C₁₁H₉F₃O₂	详情	详情
(XLVIII)	53732	(4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	n/a	C₂₄H₃₈O₄	详情	详情
(LI)	53735	(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	n/a	C₂₄H₃₈O₄	详情	详情
(LII)	53736	(4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	n/a	C₂₄H₃₆O₄	详情	详情

Extended Information