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(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,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
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
CAS:193146-49-5
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;
分子式:C45H87NO5SSi3
分子量:838.497
精确质量:837.561
Psa:106.12
Logp:13.7826
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;
分子式:C45H87NO5SSi3
分子量:838.497
精确质量:837.561
Psa:106.12
Logp:13.7826
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1H NMR : Predict

13C NMR : Predict
