3-Methoxy-15β-cyan-oestratrien-<1,3,5(10)>-on-(17) | 96970-50-2

• 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: 3-Methoxy-15β-cyan-oestratrien-<1,3,5(10)>-on-(17)
• 英文别名: 3-methoxy-17-oxo-estra-1,3,5(10)-triene-15β-carbonitrile；(8R,9S,13S,14R,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-15-carbonitrile
• CAS: 96970-50-2
• 化学式: C₂₀H₂₃NO₂
• 分子量: 309.408
• InChiKey: WZDBTJIACBKYCY-UNASGJGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methoxy-15β-cyan-oestratrien-<1,3,5(10)>-on-(17) 在 sodium tetrahydroborate 作用下， 生成 17β-Hydroxy-3-methoxy-15β-cyan-oestratrien-(1.3.5(10))
  参考文献：
  名称：

  The Synthesis of C-15 β-Substituted Estra-1,3,5(10)-trienes. I

  摘要：

  DOI：

  10.1021/jo01024a014
• 作为产物：
  描述：

  3-methoxy-estra-1,3,5(10),15-tetraen-17-one 、 氰化钾 在 水 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以54%的产率得到3-Methoxy-15β-cyan-oestratrien-<1,3,5(10)>-on-(17)
  参考文献：
  名称：

  Novel 17beta-hydroxysteroid dehydrogenase type I inhibitors

  摘要：

  3,15-取代雌二醇化合物，作为17β-羟基类固醇脱氢酶I型（17β-HSD1）的抑制剂，其盐，含有这种化合物的药物制剂，制备这种化合物的方法，以及这种化合物的治疗用途，特别是在治疗或抑制类固醇激素依赖性疾病或紊乱方面，例如需要抑制17β-羟基类固醇脱氢酶I型酶和/或需要降低内源性17β-雌二醇浓度的类固醇激素依赖性疾病或紊乱，以及具有纯拮抗性结合亲和力或仅具有纯拮抗性结合亲和力的选择性17β-羟基类固醇脱氢酶I型抑制剂的一般用途，用于治疗或抑制良性妇科疾病，特别是子宫内膜异位症。

  公开号：

  US20050192263A1

文献信息

• NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS
  申请人：Solvay Pharmaceuticals GmbH

  公开号：EP1685150B1

  公开（公告）日：2008-09-03
• US8088758B2
  申请人：——

  公开号：US8088758B2

  公开（公告）日：2012-01-03
• [EN] NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE LA 17 DOLLAR G(B)-HYDROXYSTEROIDE DESHYDROGENASE DE TYPE I
  申请人：SOLVAY PHARM GMBH

  公开号：WO2005047303A2

  公开（公告）日：2005-05-26

  The present invention relates to novel 3, 15 substituted estrone derivatives which represent inhibitory compounds of the 17β-hydroxysteroid dehydrogenase type I (17β-HSD1), to their salts, to pharmaceutical preparations containing these compounds and to processes for the preparation of these compounds. Furthermore, the invention concerns the therapeutic use of said novel 3, 15 substituted estrone derivatives, particularly their use in the treatment or prevention of steroid hor­mone dependent diseases or disorders, such as steroid hormone dependent diseases or disorders requiring the inhibition of 17β-hydroxysteroid dehydrogenase type I enzymes and/or requiring the lowering of the endogenous 17β-estradiol concentration. In addition, the present invention relates to the general use of selective 17β-hydroxysteroid dehydrogenase type 1 inhibitors which possess in addition no or only pure antagonistic binding affinities to the estrogen receptor for the treatment and prevention of benign gynaecological disorders, in particular endometriosis.
• Novel 17beta-hydroxysteroid dehydrogenase type I inhibitors
  申请人：Messinger Josef

  公开号：US20050192263A1

  公开（公告）日：2005-09-01

  3,15-substituted estrone compounds which act as inhibitors of 17β-hydroxysteroid dehydrogenase type I (17β-HSD1), salts thereof, pharmaceutical preparations containing such compounds, processes for preparing such compounds, and therapeutic uses of such compounds, particularly in the treatment or inhibition of steroid hormone dependent diseases or disorders, such as steroid hormone dependent diseases or disorders requiring the inhibition of 17β-hydroxysteroid dehydrogenase type I enzymes and/or requiring the lowering of the endogenous 17β-estradiol concentration, as well as the general use of selective 17β-hydroxysteroid dehydrogenase type 1 inhibitors which possess in addition no or only pure antagonistic binding affinities to the estrogen receptor for the treatment or inhibition of benign gynecological disorders, particularly endometriosis.

  3,15-取代雌二醇化合物，作为17β-羟基类固醇脱氢酶I型（17β-HSD1）的抑制剂，其盐，含有这种化合物的药物制剂，制备这种化合物的方法，以及这种化合物的治疗用途，特别是在治疗或抑制类固醇激素依赖性疾病或紊乱方面，例如需要抑制17β-羟基类固醇脱氢酶I型酶和/或需要降低内源性17β-雌二醇浓度的类固醇激素依赖性疾病或紊乱，以及具有纯拮抗性结合亲和力或仅具有纯拮抗性结合亲和力的选择性17β-羟基类固醇脱氢酶I型抑制剂的一般用途，用于治疗或抑制良性妇科疾病，特别是子宫内膜异位症。
• The Synthesis of C-15 β-Substituted Estra-1,3,5(10)-trienes. I
  作者：E. W. Cantrall、Ruddy Littell、Seymour Bernstein

  DOI：10.1021/jo01024a014

  日期：1964.1