4-(3-benzyloxy-2-ethoxy-17-oxo-estra-1,3,5(10)-trien-15α-yl)-but-2-enoic acid methyl ester | 915966-26-6

• 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: 4-(3-benzyloxy-2-ethoxy-17-oxo-estra-1,3,5(10)-trien-15α-yl)-but-2-enoic acid methyl ester
• 英文别名: 4-(3-Benzyloxy-2-ethoxy-17-oxo-estra-1,3,5(10)-trien-15alpha-yl)but-2-enoic acid methyl ester；methyl 4-[(8R,9S,13S,14S,15S)-2-ethoxy-13-methyl-17-oxo-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]but-2-enoate
• CAS: 915966-26-6
• 化学式: C₃₂H₃₈O₅
• 分子量: 502.651
• InChiKey: BAENPDHZQGSBIL-NTPUSIMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3-benzyloxy-2-ethoxy-17-oxo-estra-1,3,5(10)-trien-15α-yl)-but-2-enoic acid methyl ester 在 钯 氢气 、 甲醇 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 25.0 ℃ 、13.51 MPa 条件下， 反应 48.0h， 以to provide 2.8 g (6.72 mmol, >100%) of a greenish solid的产率得到4-(3-hydroxy-2-ethoxy-17-oxo-estra-1,3,5(10)-trien-15α-yl)-butyric acid methyl ester
  参考文献：
  名称：

  17SS-HSD1 and STS inhibitors

  摘要：

  本发明涉及新型取代类固醇衍生物，它们是17β-羟基类固醇脱氢酶I（17β-HSD1）的选择性抑制剂，并且可能是类固醇硫酸酯酶的抑制剂，以及它们的盐，含有这些化合物的制药制剂以及制备这些化合物的方法。此外，本发明涉及所述新型取代类固醇衍生物的治疗用途，特别是它们在治疗、抑制、预防或预防类固醇激素依赖性疾病或疾病方面的使用，例如需要抑制17β-羟基类固醇脱氢酶I和/或类固醇硫酸酯酶以及/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疾病。

  公开号：

  US20060281710A1
• 作为产物：
  描述：

  3-benzyloxy-2-ethoxy-estra-1,3,5(10),15-tetraene-17-one 在 Grubbs II catalyst 18-冠醚-6 、 potassium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.67h， 生成 4-(3-benzyloxy-2-ethoxy-17-oxo-estra-1,3,5(10)-trien-15α-yl)-but-2-enoic acid methyl ester
  参考文献：
  名称：

  WO2006/125800

  摘要：

  公开号：

文献信息

• 17β-HSD1 and STS inhibitors
  申请人：Abbott Products GmbH

  公开号：US08030298B2

  公开（公告）日：2011-10-04

  The present invention relates to novel substituted steroid derivatives which represent selective inhibitors of the 17β-hydroxysteroid dehydrogenase type I (17β-HSD1) and, in addition, which may represent inhibitors of the steroid sulphatase, as well as 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 substituted steroid derivatives, particularly their use in the treatment, inhibition, prophylaxis 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 and/or steroid sulphatase enzymes and/or requiring the lowering of the endogenous 17β-estradiol concentration.

  本发明涉及新型取代类固醇衍生物，它们是17β-羟基类固醇脱氢酶I（17β-HSD1）的选择性抑制剂，并且还可以是类固醇硫酸酯的抑制剂，以及它们的盐、含有这些化合物的制药制剂和这些化合物的制备方法。此外，本发明涉及所述新型取代类固醇衍生物的治疗用途，特别是它们在治疗、抑制、预防或预防类固醇激素依赖性疾病或障碍方面的用途，例如需要抑制17β-羟基类固醇脱氢酶I和/或类固醇硫酸酯酶并/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障碍。
• 17-beta HSD1 and STS inhibitors
  申请人：Messinger Josef

  公开号：US08435973B2

  公开（公告）日：2013-05-07

  Substituted steroid compounds which represent selective inhibitors of 17β-hydroxysteroid dehydrogenase type I (17β-HSD1) and, in addition, which may represent inhibitors of the steroid sulfatase, salts thereof, pharmaceutical preparations containing these compounds, and a process for the preparation of these compounds. Also disclosed is a therapeutic method of using such substituted steroid compounds, particularly in the treatment, inhibition, prophylaxis 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 and/or steroid sulfatase enzymes and/or requiring lowering of the endogenous 17β-estradiol concentration.

  本发明涉及替代类固醇化合物，其代表17β-羟基类固醇脱氢酶I（17β-HSD1）的选择性抑制剂，并且可能代表类固醇磺酸酯的抑制剂，以及其盐、含有这些化合物的制药制剂，以及制备这些化合物的方法。本发明还揭示了一种治疗方法，特别是在治疗、抑制、预防或预防类固醇激素依赖性疾病或疾病时使用这种替代类固醇化合物，例如需要抑制17β-羟基类固醇脱氢酶I和/或类固醇磺酸酯酶和/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疾病。
• 17-beta HSD1 and STS Inhibitors
  申请人：Messinger Josef

  公开号：US20110021480A1

  公开（公告）日：2011-01-27

  Substituted steroid compounds which represent selective inhibitors of 17β-hydroxysteroid dehydrogenase type I (17β-HSD1) and, in addition, which may represent inhibitors of the steroid sulfatase, salts thereof, pharmaceutical preparations containing these compounds, and a process for the preparation of these compounds. Also disclosed is a therapeutic method of using such substituted steroid compounds, particularly in the treatment, inhibition, prophylaxis 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 and/or steroid sulfatase enzymes and/or requiring lowering of the endogenous 17β-estradiol concentration.

  本发明涉及代替类固醇化合物，其代表选择性抑制17β-羟基类固醇脱氢酶I（17β-HSD1）并且可能代表类固醇磺酸酯酶的抑制剂，这些化合物的盐，包含这些化合物的药物制剂以及制备这些化合物的方法。此外，本发明还揭示了使用这种代替类固醇化合物的治疗方法，特别是在治疗、抑制、预防或预防类固醇激素依赖性疾病或疾病时，例如需要抑制17β-羟基类固醇脱氢酶I和/或类固醇磺酸酯酶和/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疾病。
• WO2006/125800
  申请人：——

  公开号：——

  公开（公告）日：——
• 17SS-HSD1 and STS inhibitors
  申请人：Messinger Josef

  公开号：US20060281710A1

  公开（公告）日：2006-12-14

  The present invention relates to novel substituted steroid derivatives which represent selectiv inhibitors of the 17β-hydroxysteroid dehydrogenase type I (17β-HSD1) and, in addition, which may represent inhibitors of the steroid sulphatase, as well as 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 substituted steroid derivatives, particularly their use in the treatment, inhibition, prophylaxis 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 and/or steroid sulphatase enzymes and/or requiring the lowering of the endogenous 17β-estradiol concentration.

  本发明涉及新型取代类固醇衍生物，它们是17β-羟基类固醇脱氢酶I（17β-HSD1）的选择性抑制剂，并且可能是类固醇硫酸酯酶的抑制剂，以及它们的盐，含有这些化合物的制药制剂以及制备这些化合物的方法。此外，本发明涉及所述新型取代类固醇衍生物的治疗用途，特别是它们在治疗、抑制、预防或预防类固醇激素依赖性疾病或疾病方面的使用，例如需要抑制17β-羟基类固醇脱氢酶I和/或类固醇硫酸酯酶以及/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疾病。