(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-7-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七烷基-12,16-二烯-5-酮

(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-7-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七烷基-12,16-二烯-5-酮

CAS号：193146-49-5

英文名：(3S,7S,8S,12Z,15S,16E)-1,3,15-tris[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)heptadeca-12,16-dien-5-one

分子式

C45H87NO5SSi3

熔点

密度

分子量

838.497

沸点

溶解度

信号词

危险品标志

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化合物简介

An intermediate in the synthesis of Epothilones. Epothilones are polyketide natural products that inhibit cancer cells by a mechanism similar to paclitaxel, and also are effective against paclitaxel-resistant tumours. Epothilone D is in phase I clinical testing of in patients with advanced solid tumours. Epothilone D is a cytotoxic macrolide that stabilises malignant cells' microtubules and arrests mitosis, a characteristic it shares with other epothilones. They bind to the same hepatic sites as does paclitaxel (Taxol) in a 1:1 stoichiometric ratio of a, b-tubulin heterodimers.

基本信息

中文名称

(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-7-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七烷基-12,16-二烯-5-酮

英文名称

(3S,7S,8S,12Z,15S,16E)-1,3,15-tris[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)heptadeca-12,16-dien-5-one

中文别名

英文别名

(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-tris{[tert-butyl(dimethyl)silyl]oxy}-7-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)heptadeca-12,16-dien-5-one、(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-Tris-{[tert-butyl(dimethyl)silyl]oxy}-7-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)heptadecyl-12,16-dien-5-one

CAS号

193146-49-5

分子式

C45H87NO5SSi3

分子量

838.497

精确质量

837.561

PSA

106.12

LOGP

13.7826

合成路线

共找到7条合成路线 >

(3S,4E)-3-{[tert-butyl(dimethyl)silyl]oxy}-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-al

(3S,4E)-3-{[tert-butyl(dimethyl)silyl]oxy}-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-al

(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-7-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七烷基-12,16-二烯-5-酮

(3S,6R,7S,8S,12Z,15S,16E)-1,3,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-7-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七烷基-12,16-二烯-5-酮

上游原料

共找到54个上游原料 >

(2E)-2-Methyl-3-(2-methyl-1,3-thiazol-4-yl)acrylaldehyde

(2E)-2-Methyl-3-(2-methyl-1,3-thiazol-4-yl)acrylaldehyde

(2S,6Z,9S,10E)-9-{[tert-butyl(dimethyl)silyl]oxy}-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal

(2S,6Z,9S,10E)-9-{[tert-butyl(dimethyl)silyl]oxy}-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal

(3S)-3-methyl-1-phenylsulfonylbutan-4-ol

(3S)-3-methyl-1-phenylsulfonylbutan-4-ol

(2E,6E)-(S)-5-(tert-butyl-dimethyl-silanyloxy)-2-[(S)-5-(tert-butyl-dimethyl-silanyloxy)-4-methyl-pentyl]-6-methyl-7-(2-methyl-thiazol-4-yl)-hepta-2,6-dienoic acid methyl ester

(2E,6E)-(S)-5-(tert-butyl-dimethyl-silanyloxy)-2-[(S)-5-(tert-butyl-dimethyl-silanyloxy)-4-methyl-pentyl]-6-methyl-7-(2-methyl-thiazol-4-yl)-hepta-2,6-dienoic acid methyl ester

(5S)-5-hydroxy-4,4-dimethyloct-7en-3-one

(5S)-5-hydroxy-4,4-dimethyloct-7en-3-one

(3S)-3-(tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanal

(3S)-3-(tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanal

下游产品

共找到5个下游商品 >

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)-5-氧代-十七-12,16-二烯酸

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)-5-氧代-十七-12,16-二烯酸

(3S,6R,7S,8S,12Z,15S,16E)-1,3,7,15-四-{[叔-丁基(二甲基)硅烷基]氧基}-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七-12,16-二烯-5-酮

(3S,6R,7S,8S,12Z,15S,16E)-1,3,7,15-四-{[叔-丁基(二甲基)硅烷基]氧基}-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七-12,16-二烯-5-酮

埃博霉素B

Epothilone D

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-1-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七-12,16-二烯-5-酮

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-1-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七-12,16-二烯-5-酮

上游原料

(2E)-2-Methyl-3-(2-methyl-1,3-thiazol-4-yl)acrylaldehyde (2S,6Z,9S,10E)-9-{[tert-butyl(dimethyl)silyl]oxy}-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal (3S)-3-methyl-1-phenylsulfonylbutan-4-ol (2E,6E)-(S)-5-(tert-butyl-dimethyl-silanyloxy)-2-[(S)-5-(tert-butyl-dimethyl-silanyloxy)-4-methyl-pentyl]-6-methyl-7-(2-methyl-thiazol-4-yl)-hepta-2,6-dienoic acid methyl ester (5S)-5-hydroxy-4,4-dimethyloct-7en-3-one (3S)-3-(tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanal 2,2-Dimethyl-3-oxopentanal (S,4Z,8E)-7-((tert-butyldimethylsilyl)oxy)-4,8-dimethyl-9-(2-methylthiazol-4-yl)nona-4,8-dien-1-ol methyl (S,2E,6E)-2-allyl-5-((tert-butyldimethylsilyl)oxy)-6-methyl-7-(2-methylthiazol-4-yl)hepta-2,6-dienoate (6Z,10E)-(2S,9S)-9-(tert-Butyl-dimethyl-silanyloxy)-2,6,10-trimethyl-11-(2-methyl-thiazol-4-yl)-undeca-6,10-dienenitrile 4-(氯甲基)-2-甲基-1,3-噻唑 (-)-甲基(3S)-3,5-二-{[叔-丁基二甲基硅烷基)氧基]}-2,2-二甲基戊酸酯 (+)-甲基(3S)-5-{[叔-丁基二甲基硅烷基)氧基]}-3-羟基-2,2-二甲基戊酸酯 2-甲基-1,3-噻唑-4-甲醛 (S)-7-(tert-butyl-dimethyl-silanyloxy)-6-methyl-2-(triphenylphosphanylidene)-heptanoic acid methyl ester (5S)-5-{[(tert-butyl)dimethylsilyl]oxy}-7-hydroxy-4,4-dimethylheptan-3-one (1E)(3S)-3-(tert-butyl-dimethylsilyl)oxy-2-methyl-1-[2-methyl(1,3-thiazol-4-yl)]hexa-1,5-diene 4-((1E,3S,5Z)-3-{[tert-butyl(dimethyl)silyl]oxy}-7-iodo-2,6-dimethylhepta-1,5-dienyl)-2-methyl-1,3-thiazole 6-tert-butyldimethylsilyloxy-1-iodo-5-methylhexane 叔丁基二甲硅基三氟甲磺酸酯 2-甲基噻唑-4-甲酸乙酯 (5S)-5-(tert-butyl-dimethyl-silanyloxy)-4,4-dimethyloct-7en-3-one 4-((1E,3S,5E,10S)-3,11-bis((tert-butyldimethylsilyl)oxy)-6-(chloromethyl)-2,10-dimethylundeca-1,5-dien-1-yl)-2-methylthiazole (S)-tert-butyldimethyl((2-methylhept-6-en-1-yl)oxy)silane (2E,6E)-(S)-5-(tert-butyl-dimethyl-silanyloxy)-2-[(S)-5-(tert-butyl-dimethyl-silanyloxy)-4-methyl-pentyl]-6-methyl-7-(2-methyl-thiazol-4-yl)-hepta-2,6-dien-1-ol 1-{1-[(1E)-1-methyl-2-(2-methyl(1,3-thiazol-4-yl))vinyl](1S)(3Z)-4-methylhepta-3,6-dienyloxy}-1,1,2,2-tetramethyl-1-silapropane (3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol (2S,6Z,9S,10E)-9-((tert-butyldimethylsilyl)oxy)-N-((S)-2-(methoxymethyl)pyrrolidin-1-yl)-2,6,10-trimethyl-11-(2-methylthiazol-4-yl)undeca-6,10-dien-1-imine (+)-(2S,6Z,9S,10E)-9-{[叔-丁基(二甲基)硅烷基]氧基}-2,6,10-三甲基-11-(2-甲基-1,3-噻唑-4-基)-十一碳-6,10-二烯-1-醇 (2E,6E)(5S)-6-methyl-7-(2-methyl-(1,3-thiazol-4-yl))-2-prop-2-enyl-5-(1,1,2,2-tetramethyl-1-silapropoxy)hepta-2,6-dien-1-ol (-)-(2Z,5S,6E)-5-{[叔-丁基(二甲基)硅烷基]氧基}-2,6-二甲基-7-(2-甲基-1,3-噻唑-4-基)庚-2,6-二烯-1-醇 (3S)-3-{[叔-丁基(二甲基)硅烷基]氧基}-5-羟基戊烷-2-酮 4-[(1E,3S,5Z,8R/S,10S)-3,11-二-{[叔-丁基(二甲基)硅烷基]氧基}-2,6,10-三甲基-8-(苯磺酰基)十一碳-1,5-二烯基]-2-甲基-1,3-噻唑 4-((S,1E,5Z)-3-((tert-butyldimethylsilyl)oxy)-9-iodo-2,6-dimethylnona-1,5-dien-1-yl)-2-methylthiazole (4S)-4,6-二-{[叔-丁基二甲基硅烷基)氧基]}-3,3-二甲基己烷-2-酮 (5S)-5,7-二-{[叔-丁基二甲基硅烷基)氧基]}-4,4-二甲基庚烷-3-酮叔丁基二甲基氯硅烷 (-)-(3S,4E)-3-{[叔-丁基(二甲基)硅烷基]氧基}-4-甲基-5-(2-甲基-1,3-噻唑-4-基)戊-4-烯-1-醇 (3S)-4-{[叔-丁基(二甲基)硅烷基]氧基}-3-甲基丁基苯基砜 (S)-4-benzyl-3-((2S,6E,9S,10E)-9-((tert-butyldimethylsilyl)oxy)-6-(chloromethyl)-2,10-dimethyl-11-(2-methylthiazol-4-yl)undeca-6,10-dienoyl)oxazolidin-2-one (S)-4-benzyl-3-((S)-6-iodo-2-methylhept-6-enoyl)oxazolidin-2-one (4S)-4-benzyl-3-((2S,9S,E)-9-((tert-butyldimethylsilyl)oxy)-7-hydroxy-2,10-dimethyl-6-methylene-11-(2-methylthiazol-4-yl)undec-10-enoyl)oxazolidin-2-one 3-[(叔丁基二甲基甲硅烷基)氧基]-1-丙醇 (-)-(5S)-5,7-bis(tert-butyldimethylsilyloxy)-4,4-dimethylheptan-3-ol 乙基(2Z,5S,6E)-5-{[叔-丁基(二甲基)硅烷基]氧基}-2,6-二甲基-7-(2-甲基-1,3-噻唑-4-基)庚-2,6-二烯酸酯 (3S,4E)-3-{[tert-butyl(dimethyl)silyl]oxy}-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-al (-)-(3S)-3-{[叔-丁基(二甲基)硅烷基]氧基}二氢呋喃-2(3H)-酮 4-[(1E,3S,5Z,8R/S,10S)-3,11-二-{[叔-丁基(二甲基)硅烷基]氧基}-2,6,10-三甲基-十一碳-1,5-二烯基]-2-甲基-1,3-噻唑

下游产品

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)-5-氧代-十七-12,16-二烯酸 (3S,6R,7S,8S,12Z,15S,16E)-1,3,7,15-四-{[叔-丁基(二甲基)硅烷基]氧基}-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七-12,16-二烯-5-酮埃博霉素B Epothilone D (3S,6R,7S,8S,12Z,15S,16E)-3,7,15-三-{[叔-丁基(二甲基)硅烷基]氧基}-1-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)十七-12,16-二烯-5-酮