CAS: 219843-76-2; (3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-(Pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl Acetate

该化合物是一种该化合物是一种临床上重要的化合物,用于治疗抗甲状腺癌,这一中间体具有较高的化学纯度和稳定性,适合制药生产过程,其结构改造增强了代谢稳定性,与早先的类似物相比,提高了生物利用率.该化合物的严格特点是先进的分析技术,确保符合和遵守监管标准.该化合物作为前体,其作用凸显了其在生产高产量和效率的丙酮乙酸酯,支持工业应用中可缩放和成本效益高的合成路线方面的重要性.

英文名称(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-(Pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl Acetate
中文名称(3S,5S,8R,9S,10S,13S,14S)-10,13-二甲基-17-(吡啶-3-基)-2,3,4,5,6,7,8,9,10, 11,12,13,14,15-十四氢-1H-环戊二烯并[a]菲-3-基乙酸酯
IUPAC名称(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
其它别名Androst-16-En-3-Ol, 17-(3-Pyridinyl)-, Acetate (Ester),(3β,5α)-; (8R,9S,10S,13S,14S)-10,13-Dimethyl-17-(Pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl Acetate; 5,6-Dihydroabiraterone Acetate; Abiraterone Acetate 5,6-Dihydro Impurity/17-(3-Pyridinyl)-(3β,5α)-Androst-16-En-3-Ol Acetate; 17-(3-Pyridinyl)-(3β,5α)-Androst-16-En-3-Ol Acetate; Abiraterone Hydrogenated Impurity; Androst-16-En-3-Ol, 17-(3-Pyridinyl)-, 3-Acetate, (3β,5α)-; Tazobactam Impurity 53
CAS编号219843-76-2
MFCD编号:MFCD28167852
分子式:C26H35NO2分子量:393.57
产品CID: 1141050
产品分类有机原料→生命科学→甾体

相似结构搜索
InChIKey: HEZPFKLQXRMCLZ-MPSOBFSRSA-N
InChI=1S/C26H35NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-5,8,14,16,19-21,23-24H,6-7,9-13,15H2,1-3H3/t19-,20-,21
计算化学: 氢键受体数3.0氢键供体数0可旋转键数2

相似化合物

2141996-19-0 1940176-03-3 1620323-43-4

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
安全声明H303+H313+H333

上下游产品

3β-acetoxy-5α-androsta-16-ene-17-yl trifluoromethanesulfonate 3-Diethylboranylpyridine Epiandrosterone 3β-acetoxy-5α-androstan-17-one17-(3-pyridyl)-5α-androsta-16-ene-3α-ol 17-(3-pyridyl)-5α-androsta-16-ene-3-one (3β,5α)-17-(3'-pyridinyl)androst-16-en-3-ol

合成工艺路线路线简述

合成目标产物 Androst-16-En-3-Ol, 17-(3-Pyridinyl)-, Acetate (Ester),(3β,5α)- 主要起始原料 Androst-16-Ene-3,17-Diol, 3,21-Dihydroxy-15-Methyl-2,22-Dioxo-, 3-Acetate 17-(1,1,1-Trifluoromethanesulfonate), (3β,5α)- And Diethyl(3-Pyridyl)Borane
(文献来源)合成步骤主要原料 Androst-16-Ene-3,17-Diol, 3,21-Dihydroxy-15-Methyl-2,22-Dioxo-, 3-Acetate 17-(1,1,1-Trifluoromethanesulfonate), (3β,5α)- 和 Diethyl(3-Pyridyl)Borane

📜3β-Hydroxy-5α-Androstanon-(17)-Hydrazon置于吡啶,Bis-Triphenylphosphine-Palladium(II) Chloride,四丁基氟化铵,碘,Sodium Carbonate,四甲基胍体系中,用四氢呋喃,乙二醇二甲醚,水,甲苯用作溶剂,化学反应 9.0H,反应生成(3S,5S,8R,9S,10S,13S,14S)-10,13-二甲基-17-(吡啶-3-基)-2
参考文献:一种醋酸阿比特龙还原杂质及其制备方法
标题:一种醋酸阿比特龙还原杂质及其制备方法
摘要:本发明公开了一种醋酸阿比特龙还原杂质及其制备方法,该杂质为17‑(3‑吡啶基)雄甾‑3β‑乙酰氧基,其制备方法包括以下步骤:以去氢表雄酮作为起始物料,用钯碳催化氢化得到(3β)‑3‑羟基‑17‑甾酮,然后用水合肼反应得到17‑亚肼基‑雄甾‑3β‑醇,碘取代得到17‑碘‑雄甾‑3β‑醇,钯催化下与硼烷试剂反应得到17‑(3‑吡啶基)雄甾‑3β‑醇,醋酸酐乙酰化得到醋酸阿比特龙还原杂质17‑(3‑吡啶基)雄甾‑3β‑乙酰氧基.