TAS-108 | 229634-98-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: TAS-108
• 英文别名: (7α)-21-[4-[(diethylamino)methyl]-2-methoxyphenoxy]-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol 2-hydroxypropane-1,2,3-tricarboxylic acid salt；HLX-801；3-hydroxy-7α-methyl-21-[2'-methoxy-4'-(diethylaminomethyl)-phenoxy]-19-norpregna-1,3,5(10)triene citrate；(7R,8S,9S,13R,14S,17R)-17-[2-[4-(diethylaminomethyl)-2-methoxyphenoxy]ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
• CAS: 229634-98-4
• 化学式: C₆H₈O₇*C₃₃H₄₇NO₃
• 分子量: 697.866
• InChiKey: VOHOCSJONOJOSD-SCIDSJFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  50
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  174
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  以35的产率得到TAS-108
  参考文献：
  名称：

  Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one

  摘要：

  本文提供了合成类固醇如3-羟基-7α-甲基-21-[2'-甲氧基-4'-(二乙胺甲基)-苯氧基]-19-去甲孕烷-1,3,5(10)三烯酸盐（“SR 16234”）及其类似物的方法，其中21-羟基-19-去甲孕-4-烯-3-酮作为起始材料或中间体。后者化合物可以从雌甾酮-3-甲基醚中轻松制备。这些合成中的某些中间体也具有治疗价值，例如在治疗前列腺疾病如前列腺癌方面。

  公开号：

  US20010039269A1

文献信息

• Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one
  申请人：——

  公开号：US20010039269A1

  公开（公告）日：2001-11-08

  Syntheses of steroids such as 3-hydroxy-7&agr;-methyl-21-[2′-methoxy-4′-(diethylaminomethyl)-phenoxy]-19-norpregna-1,3,5(10)triene citrate (“SR 16234”) and analogs thereof are provided, wherein 21-hydroxy-19-norpregna-4-en-3-one serves as a starting material or intermediate. The latter compound may be readily prepared from estrone-3-methyl ether. Certain intermediates in these syntheses also have value as therapeutic agents, for example in the treatment of prostate disorders such as prostatic cancer.

  提供了合成类固醇的方法，例如3-羟基-7α-甲基-21-[2'-甲氧基-4'-(二乙胺甲基)苯氧基]-19-去氢孕-1,3,5(10)三烯酸盐（“SR 16234”）及其类似物，其中21-羟基-19-去氢孕-4-烯-3-酮作为起始物质或中间体。后者化合物可以从雌酮-3-甲醚中轻松制备而来。这些合成中的某些中间体也具有治疗价值，例如在治疗前列腺疾病如前列腺癌方面。
• [EN] SYNTHESIS OF ANTI-ESTROGENIC AND OTHER THERAPEUTIC STEROIDS FROM 21-HYDROXY-19-NORPREGNA-4-EN-3-ONE<br/>[FR] SYNTHESE DE STEROIDES ANTI-OESTROGENIQUE ET D'AUTRES STEROIDES THERAPEUTIQUES ISSUS DE 21-HYDROXY-19-NORPREGNA-4-ENE-3-ONE
  申请人：——

  公开号：WO2001058919A3

  公开（公告）日：2002-05-02
• PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS
  申请人：N.V. Organon

  公开号：EP1470151B1

  公开（公告）日：2009-12-30
• Process for the preparation of 7alpha-methylsteroids
  申请人：Van Buggenum Patrick, Arnoldus, Maria

  公开号：US20050090476A1

  公开（公告）日：2005-04-28

  The invention relates to a process for the preparation of 7α-methyl hydroxy steroids of the formula I wherein R1 is hydrogen, methyl or C≡CH; R2 is (CH 2 ) n OH, wherein n is 0, 1 or 2; by a copper mediated 1,6-conjugate addition of a Grignard reagent CH 3 MgX, X being a halogen, to the 4,6-unsaturated 3-ketosteroid of formula II, wherein R1 and R2 are as previously defined, comprising protecting the hydroxy group of the steroid of formula II with a trialkylsilyl group, followed by treating the hydroxy protected steroid with the Grignard reagent. The process of the invention is useful for the production of pharmacologically interesting steroids.
• Process For The Preparation of 7 alpha-Methylsteroids
  申请人：Van Buggenum Patrick Arnoldus Maria

  公开号：US20100204497A1

  公开（公告）日：2010-08-12

  The invention relates to a process for the preparation of 7α-methyl hydroxy steroids of the formula I wherein R1 is hydrogen, methyl or C≡CH; R2 is (CH 2 ) n OH, wherein n is 0, 1 or 2; by a copper mediated 1,6-conjugate addition of a Grignard reagent CH 3 MgX, X being a halogen, to the 4,6-unsaturated 3-ketosteroid of formula II, wherein R1 and R2 are as previously defined, comprising protecting the hydroxy group of the steroid of formula II with a trialkylsilyl group, followed by treating the hydroxy protected steroid with the Grignard reagent. The process of the invention is useful for the production of pharmacologically interesting steroids.