(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

CAS号：193146-63-3

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

分子式

C45H85NO6SSi3

熔点

密度

分子量

852.481

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)-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

英文名称

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

中文别名

英文别名

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-tris{[tert-butyl(dimethyl)silyl]oxy}-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadeca-12,16-dienoic acid、(12Z,16E)-(3S,6R,7S,8S,15S)-3,7,15-tris-(tert-butyl-dimethyl-silanyloxy)-4,4,6,8,12,16-hexamethyl-17-(2-methyl-thiazol-4-yl)-5-oxo-heptadeca-12,16-dienoic acid

CAS号

193146-63-3

分子式

C45H85NO6SSi3

分子量

852.481

精确质量

851.541

PSA

123.19

LOGP

13.8749

合成路线

共找到2条合成路线 >

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-tris((tert-butyldimethylsilyl)oxy)-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxoheptadeca-12,16-dienal

(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-tris((tert-butyldimethylsilyl)oxy)-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxoheptadeca-12,16-dienal

(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

上游原料

共找到67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

(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

2,2-Dimethyl-3-oxopentanal

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

(S,4Z,8E)-7-((tert-butyldimethylsilyl)oxy)-4,8-dimethyl-9-(2-methylthiazol-4-yl)nona-4,8-dien-1-ol

下游产品

共找到2个下游商品 >

埃博霉素B

Epothilone D

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 (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 (12Z,16E)-(3S,6R,7S,8S,15S)-3,7,15-tris-(tert-butyl-dimethyl-silanyloxy)-1-((S)-10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo[5.2.1.0]dec-4-yl)-4,4,6,8,12,16-hexamethyl-17-(2-methyl-thiazol-4-yl)-heptadeca-12,16-diene-1,5-dione 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 (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 (S)-phenyl 5-((tert-butyldimethylsilyl)oxy)-3-hydroxy-2,2-dimethylpentanoate 4-((1E,3S,5Z)-3-{[tert-butyl(dimethyl)silyl]oxy}-7-iodo-2,6-dimethylhepta-1,5-dienyl)-2-methyl-1,3-thiazole (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-酮叔丁基二甲硅基三氟甲磺酸酯 2-甲基噻唑-4-甲酸乙酯 (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 (5S)-5-(tert-butyl-dimethyl-silanyloxy)-4,4-dimethyloct-7en-3-one 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,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)-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 (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 (+)-(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 (-)-(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 (S)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2,2-dimethyl-pentanoic acid phenyl ester (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,6R,7S,8S,12Z,15S,16E)-15-(tert-butyldimethylsiloxy)-3,7-dihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxaheptadeca-12,16-dienic acid (3S)-3-[((tert-butyl)dimethylsilyl)oxy]-1-[(1S,5R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01.5]dec-4-yl]-4,4-dimethylheptan-1,5-dione (3S)-4-{[叔-丁基(二甲基)硅烷基]氧基}-3-甲基丁基苯基砜 (3S,6R,7S,8S,12Z,15S,16E)-3,7,15-tris((tert-butyldimethylsilyl)oxy)-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxoheptadeca-12,16-dienal (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 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

下游产品

埃博霉素B Epothilone D