百科

埃博霉素B

埃博霉素B

CAS号：152044-54-7

英文名：epothilone B

分子式

C27H41NO6S

熔点

95-97ºC

密度

1.136

分子量

507.683

沸点

680.2ºC at 760mmHg

溶解度

信号词

危险品标志

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化合物简介

Epothilones are polyketide natural products that inhibit cancer cells by a mechanism similar to paclitaxel, and also are effective against paclitaxel-resistant tumours. Epothilone B is what is known as a microtubule stabilizer. When a cell divides, the chromosomes that will end up in each cell are separated by thin filaments called microtubules. Normally these microtubules then break down as the cell division progresses. This class of cytotoxic chemo drugs prevents that break down and thus prevents cells from completing division.

基本信息

中文名称

埃博霉素B

英文名称

epothilone B

中文别名

帕土匹龙

英文别名

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione、Epothilone B (EPO906,Patupilone)、Epothilon B、GNF-PF-193、EpoB、Patupilone、Epothilone B、EPO906、EPO906,EpoB,Patupilone

CAS号

152044-54-7

分子式

C27H41NO6S

分子量

507.683

精确质量

507.265

PSA

137.49

LOGP

4.4775

编号系统

UNII

UEC0H0URSE

物化性质

外观与性状

白色粉末

密度

1.136

沸点

680.2ºC at 760mmHg

熔点

95-97ºC

闪点

365.2ºC

折射率

1.532

蒸汽压

0mmHg at 25°C

合成路线

共找到2条合成路线 >

Epothilone D

埃博霉素B

上游原料

共找到244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,3S,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-6-[1,3]dithian-2-yl-2,4,6-trimethyl-5-triphenylsilanyloxy-heptan-1-ol

(2S,3S,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-6-[1,3]dithian-2-yl-2,4,6-trimethyl-5-triphenylsilanyloxy-heptan-1-ol

Epothilone D

2,2-Dimethyl-3-oxopentanal

2,2-Dimethyl-3-oxopentanal

(4S,7R,8S,9S,13Z,16S)-4,8-二-{[叔-丁基(二甲基)硅烷基]氧基}-5,5,7,9,13-五甲基-16-[(E)-1-甲基-2-(2-甲基-1,3-噻唑-4-基)乙烯基]氧代环己癸-13-烯-2,6-二酮

(4S,7R,8S,9S,13Z,16S)-4,8-二-{[叔-丁基(二甲基)硅烷基]氧基}-5,5,7,9,13-五甲基-16-[(E)-1-甲基-2-(2-甲基-1,3-噻唑-4-基)乙烯基]氧代环己癸-13-烯-2,6-二酮

(1S,3S,7S,10R,11S,12S,16R)-7-((tert-butyldimethylsilyl)oxy)-11-hydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

(1S,3S,7S,10R,11S,12S,16R)-7-((tert-butyldimethylsilyl)oxy)-11-hydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

下游产品

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伊沙匹隆

Epothilone D

上游原料

(2E)-2-Methyl-3-(2-methyl-1,3-thiazol-4-yl)acrylaldehyde (2S,3S,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-6-[1,3]dithian-2-yl-2,4,6-trimethyl-5-triphenylsilanyloxy-heptan-1-ol Epothilone D 2,2-Dimethyl-3-oxopentanal (4S,7R,8S,9S,13Z,16S)-4,8-二-{[叔-丁基(二甲基)硅烷基]氧基}-5,5,7,9,13-五甲基-16-[(E)-1-甲基-2-(2-甲基-1,3-噻唑-4-基)乙烯基]氧代环己癸-13-烯-2,6-二酮 (1S,3S,7S,10R,11S,12S,16R)-7-((tert-butyldimethylsilyl)oxy)-11-hydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (3R,4R,5S)-3-(2-(1,3-dithian-2-yl)propan-2-yl)-5-((S)-1-(benzyloxy)propan-2-yl)-4,7,7,8,8-pentamethyl-1,1,1-triphenyl-2,6-dioxa-1,7-disilanonane (3R,4R,5S,6S)-6-((S)-1-(benzyloxy)propan-2-yl)-3-(iodomethyl)-2-methoxy-3,5-dimethyltetrahydro-2H-pyran-4-ol (E)-9,10-dehydroepothilone B (3S)-4-[7-bromo-3-(tert-butyl-dimethyl-silanyloxy)-2,6-dimethyl-hepta-1,5-dienyl]-2-methyl-thiazole (1S)-[(1E)-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-butenyl acetate 2-甲基-1,3-噻唑-4-甲醛 (3S,6R,7S,8S)-3,7-Bis-(tert-butyl-dimethyl-silanyloxy)-9-(4-methoxy-benzyloxy)-4,4,6,8-tetramethyl-5-oxo-nonanoic acid (3S,6R,7S,8S,12Z,15S,16E)-5-oxo-15-hydroxy-3-triethylsilanoxy-17-(2-methylthiazol-4-yl)-4,4,6,8,12,16-hexamethyl-7-(2,2,2-trichloroethoxycarbonyloxy)heptadeca-12,16-dienoic acid (1R,3S,4S,5R,6R)-3-((S)-2-Benzyloxy-1-methyl-ethyl)-4,6-dimethyl-2-oxa-bicyclo[4.1.0]heptan-5-ol (1E,3Z)-1-甲氧基-2-甲基-3-(三甲基硅氧基)-1,3-戊二烯 tert-butyl 4,4-dimethyl-3,5-dioxoheptanoate (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 (4R,5S,6S)-6-((S)-2-Benzyloxy-1-methyl-ethyl)-2-methoxy-3,3,5-trimethyl-tetrahydro-pyran-4-ol tert-butyl (6R,7S,8S,12Z,15S,16E)-3,5-dioxo-15-hydroxy-17-(2-methylthiazol-4-yl)-4,4,6,8,12,16-hexamethyl-(2,2,2-trichloroethoxycarbonyl)pentadeca-12,16-dieno-ate (2S,3S,4R,5R)-1-(benzyloxy)-6-(1,3-dithian-2-yl)-2,4,6-trimethyl-5-((triphenylsilyl)oxy)heptan-3-ol (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 S-ethyl (2S,Z)-2-((tert-butyldimethylsilyl)oxy)-5-methyl-6-((tetrahydro-2H-pyran-2-yl)oxy)hex-4-enethioate (3S,6R,7S,12Z,15S,16E)-3,7-二-{[叔-丁基(二甲基)硅烷基]氧基}-15-羟基-4,4,6,8,12,16-六甲基-17-(2-甲基-1,3-噻唑-4-基)-5-氧代十七碳-12,16-二烯酸 (4S)-4-benzyl-3-((Z)-5-methyl-6-((tetrahydro-2H-pyran-2-yl)oxy)hex-4-enoyl)oxazolidin-2-one (S)-4-Benzyl-3-[(Z)-(S)-2-(tert-butyl-dimethyl-silanyloxy)-5-methyl-6-(tetrahydro-pyran-2-yloxy)-hex-4-enoyl]-oxazolidin-2-one (3S,6R,7S,8S)-3,7-Bis-(tert-butyl-dimethyl-silanyloxy)-9-hydroxy-4,4,6,8-tetramethyl-5-oxo-nonanoic acid methyl ester methyl (3S,6R,7S,8R)-3,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethyl-5,9-dioxononanoate (3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol (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 (-)-(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 (Z)-(S)-3-(tert-Butyl-dimethyl-silanyloxy)-6-methyl-7-(tetrahydro-pyran-2-yloxy)-hept-5-en-2-one (3S,6R,7S,8S)-3,7-bis((tert-butyldimethylsilyl)oxy)-9-((4-methoxybenzyl)oxy)-4,4,6,8-tetramethyl-5-oxononanal 12,13-deoxy-7-(2,2,2-trichloroethoxycarbonyl)-3-(triethylsilyloxy)epothilone B (5S)-5,7-二-{[叔-丁基二甲基硅烷基)氧基]}-4,4-二甲基庚烷-3-酮 (2R,3R,4R,5R)-3-((tert-butyldimethylsilyl)oxy)-6-(1,3-dithian-2-yl)-2,4,6-trimethyl-5-((triphenylsilyl)oxy)heptanal (2S,3S,4R,7S)-3,7-Bis-(tert-butyl-dimethyl-silanyloxy)-1-(4-methoxy-benzyloxy)-2,4,6,6-tetramethyl-dec-9-en-5-one (2S,3S,4R)-2-((S)-1-(benzyloxy)propan-2-yl)-3,5-dimethyl-3,4-dihydro-2H-pyran-4-ol (2S,3S,4R,7S)-7-((tert-butyldimethylsilyl)oxy)-3-hydroxy-1-((4-methoxybenzyl)oxy)-2,4,6,6-tetramethyldec-9-en-5-one tert-butyl (3S,6R,7S,8S,12Z,15S,16E)-5-oxo-3,15-dihydroxy-17-(2-methylthiazol-4-yl)-4,4,6,8,12,16-hexamethyl-(2,2,2-trichloroethoxycarbonyl)pentadeca-12,16-dienoate 4-((1E,3S,5Z)-3-((tert-butyldimethylsilyl)oxy)-2,6-dimethyl-7-((tetrahydro-2H-pyran-2-yl)oxy)hepta-1,5-dien-1-yl)-2-methylthiazole [(4R,5R,6S)-6-((S)-2-Benzyloxy-1-methyl-ethyl)-2-methoxy-3,3,5-trimethyl-tetrahydro-pyran-4-yloxy]-triphenyl-silane tert-Butyldimethylsilyl {(1S,3Z)-4-iodo-1-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-3-pentenyl} ether tert-butyl (6R,7S,8S,12Z,15S,16E)-15-((tert-butyldimethylsilyl)oxy)-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-3,5-dioxo-7-(((2,2,2-trichloroethoxy)carbonyl)oxy)heptadeca-12,16-dienoate (3S,4E)-3-{[tert-butyl(dimethyl)silyl]oxy}-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-al

下游产品

伊沙匹隆 Epothilone D