tert-butyl 3-({(3S,5R,7R,8R,9S,10S,13R,14S,17R)-7-(benzyloxy)-17-[(1R)-1,5-dimethyl-4-(sulfooxy)hexyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}amino)propyl{4-[(tert-butoxycarbonyl)amino]butyl}carbamate -Drug Synthesis Database

【结构式】

【分子编号】53747

【品名】tert-butyl 3-({(3S,5R,7R,8R,9S,10S,13R,14S,17R)-7-(benzyloxy)-17-[(1R)-1,5-dimethyl-4-(sulfooxy)hexyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}amino)propyl{4-[(tert-butoxycarbonyl)amino]butyl}carbamate

【CA登记号】n/a

【分子式】C₅₁H₈₇N₃O₉S

【分子量】918.3326

【元素组成】C 66.7% H 9.55% N 4.58% O 15.68% S 3.49%

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：(LXIV)

Sulfation of alcohol (LXIII) with SO3-pyridine yielded (LXIV). After acidic Boc group cleavage, the resultant compound (LXV) was subjected to benzyl group hydrogenolysis to give the title compound.

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
(LXIII)	53746	tert-butyl 3-({(3S,5R,7R,8R,9S,10S,13R,14S,17R)-7-(benzyloxy)-17-[(1R)-4-hydroxy-1,5-dimethylhexyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}amino)propyl{4-[(tert-butoxycarbonyl)amino]butyl}carbamate	n/a	C₅₁H₈₇N₃O₆	详情	详情
(LXIV)	53747	tert-butyl 3-({(3S,5R,7R,8R,9S,10S,13R,14S,17R)-7-(benzyloxy)-17-[(1R)-1,5-dimethyl-4-(sulfooxy)hexyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}amino)propyl{4-[(tert-butoxycarbonyl)amino]butyl}carbamate	n/a	C₅₁H₈₇N₃O₉S	详情	详情
(LXV)	53748	(4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-({3-[(4-aminobutyl)amino]propyl}amino)-7-(benzyloxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-isopropylpentyl hydrogen sulfate	n/a	C₄₁H₇₁N₃O₅S	详情	详情

Extended Information