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【结 构 式】 
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【分子编号】67178 【品名】(4R,7S,8R,9R,16R)-4-hydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-2,6-dioxoazacyclohexadec-13-en-8-yl 4,4,4-trichlorobutanoate 【CA登记号】 |
【 分 子 式 】C31H45Cl3N2O5S 【 分 子 量 】664.133 【元素组成】C 56.06% H 6.83% Cl 16.01% N 4.22% O 12.04% S 4.83% |
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：(XVII)
| 【1】 Chappel MD, Stachel SJ, Lee CB, et al.2000. En route to a plant scale synthesis of the promising antitumor agent 12,13-desoxyepothilone B. Org Lett,2: 1633～1636. |
| 【2】 Harris CR, Kuduk SD, Balog A, et al. 1999. New chemical synthesis of the promising cancer chemotherapeutic agent 12,13-desoxyepothilone B: discovery of a surprising long-range effect on the diastereoselectivity of an aldol condensation. J Am Chem Soc, 121: 7050～7062. |
| 【3】 Stachel SJ, Lee CB,Spassova M, et al, 2001. On the interactivity of complex synthesis and tumor pharmacology in the drug discovery process: total synthesis and comparative in vivo evaluations of the 15-azaepothilones. J Org Chem, 66: 4369～4378. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 26239 | tert-butyl 4,4-dimethyl-3,5-dioxoheptanoate | C13H22O4 | 详情 | 详情 | |
| (II) | 26240 | tert-butyl (Z)-3-methoxy-4,4-dimethyl-5-oxo-2-heptenoate | C14H24O4 | 详情 | 详情 | |
| (III) | 26242 | tert-butyl (2Z,6R,7S,8S)-7-hydroxy-3-methoxy-4,4,6,8-tetramethyl-5-oxo-2,10-undecadienoate | C20H34O5 | 详情 | 详情 | |
| (IV) | 26243 | tert-butyl (2Z,6R,7S,8S)-3-methoxy-4,4,6,8-tetramethyl-5-oxo-7-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-2,10-undecadienoate | C23H35Cl3O7 | 详情 | 详情 | |
| (V) | 67166 | (S)-4-benzyl-3-(2-((triethylsilyl)oxy)acetyl)oxazolidin-2-one | C18H27NO4Si | 详情 | 详情 | |
| (VI) | 67167 | (4S)-4-benzyl-3-((Z)-5-iodo-2-((triethylsilyl)oxy)hex-4-enoyl)oxazolidin-2-one | C22H32INO4Si | 详情 | 详情 | |
| (VII) | 67168 | (S,Z)-N-ethyl-5-iodo-N-methyl-2-((triethylsilyl)oxy)hex-4-enamide | C14H28INO3Si | 详情 | 详情 | |
| (VIII) | 67169 | (S,Z)-6-iodo-3-((triethylsilyl)oxy)hept-5-en-2-one | C13H25IO2Si | 详情 | 详情 | |
| (IX) | 67170 | 4-((S,1E,5Z)-6-iodo-2-methyl-3-((triethylsilyl)oxy)hepta-1,5-dien-1-yl)-2-methylthiazole | C18H30INOSiS | 详情 | 详情 | |
| (X) | 67171 | (S,1E,5Z)-6-iodo-2-methyl-1-(2-methylthiazol-4-yl)hepta-1,5-dien-3-ol | C12H16INOS | 详情 | 详情 | |
| (XI) | 67172 | 4-((S,1E,5Z)-3-azido-6-iodo-2-methylhepta-1,5-dien-1-yl)-2-methylthiazole | C12H15IN4S | 详情 | 详情 | |
| (XII) | 67173 | (2Z,6S,7R,8R,12Z,15R,16E)-tert-butyl 15-azido-3-methoxy-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxo-7-((4,4,4-trichlorobutanoyl)oxy)heptadeca-2,12,16-trienoate | C35H51Cl3N4O7S | 详情 | 详情 | |
| (XIII) | 67174 | (2Z,6S,7R,8R,12Z,15R,16E)-tert-butyl 15-((tert-butoxycarbonyl)amino)-3-methoxy-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxo-7-((4,4,4-trichlorobutanoyl)oxy)heptadeca-2,12,16-trienoate | C40H61Cl3N2O9S | 详情 | 详情 | |
| (XIV) | 67175 | (6S,7R,8R,12Z,15R,16E)-tert-butyl 15-((tert-butoxycarbonyl)amino)-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-3,5-dioxo-7-((4,4,4-trichlorobutanoyl)oxy)heptadeca-12,16-dienoate | C39H59Cl3N2O9S | 详情 | 详情 | |
| (XV) | 67176 | (6S,7R,8R,12Z,15R,16E)-1-(tert-butoxy)-15-((tert-butoxycarbonyl)amino)-1-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-3,5-dioxoheptadeca-12,16-dien-7-yl 4,4,4-trichlorobutanoate | C39H61Cl3N2O9S | 详情 | 详情 | |
| (XVI) | 67177 | (6S,7R,8R,12Z,15R,16E)-15-amino-3-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxo-7-((4,4,4-trichlorobutanoyl)oxy)heptadeca-12,16-dienoic acid | C30H45Cl3N2O7S | 详情 | 详情 | |
| (XVII) | 67178 | (4R,7S,8R,9R,16R)-4-hydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-2,6-dioxoazacyclohexadec-13-en-8-yl 4,4,4-trichlorobutanoate | C31H45Cl3N2O5S | 详情 | 详情 | |
| (XVIII) | 67179 | 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)azacyclohexadec-13-ene-2,6-dione | C27H42N2O4S | 详情 | 详情 |
Extended Information