11β-methyl-gona-1,3,5(10)-triene-3,17-diol | 336785-62-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 11β-methyl-gona-1,3,5(10)-triene-3,17-diol
• 英文别名: (8S,9S,11S,13S,14S)-11-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 336785-62-7
• 化学式: C₁₈H₂₄O₂
• 分子量: 272.387
• InChiKey: BXGXAECVPOGCGU-XXSAZKPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• 18-nor steroids as selectively active estrogens
  申请人：Hillisch Alexander

  公开号：US20050282791A1

  公开（公告）日：2005-12-22

  This invention describes the new 18-nor steroids (gonatrienes) of general formula (I), in which R 1 , R 2 , R 3 , R 6 , R 7 , R 8 , R 9 , R 11 , R 11 ′, R 14 , R 15 , R 15 , R 16 , R 17 and R 17 ′ have the meanings that are indicated in the description, as pharmaceutical active ingredients that have in vitro a higher affinity to estrogen receptor preparations of rat prostates than to estrogen receptor preparations of rat uteri and in vivo a preferential action on bone in comparison to the uterus, and/or pronounced action relative to the stimulation of the expression of 5HT2a-receptors and transporters, their production, their therapeutic use and pharmaceutical dispensing forms that contain the new compounds. The invention further describes the use of steroids, on which the gonatriene skeleton is based, for treatment of estrogen-deficiency-induced diseases and conditions as well as the use of the gonatriene structural part in the total structures of compounds that have a dissociation in favor of their estrogenic action on bone in comparison to the uterus.

  本发明描述了一种新的18-去甾体（gonatrienes），其通式为（I），其中R1、R2、R3、R6、R7、R8、R9、R11、R11'、R14、R15、R15'、R16、R17和R17'具有说明书中指示的含义，作为具有体外比大鼠子宫雌激素受体制备更高亲和力和体内对骨骼具有优先作用而非子宫的药物活性成分，以及明显作用于5HT2a受体和转运体表达的刺激，它们的生产、治疗用途和含有新化合物的制药分配形式。本发明进一步描述了基于gonatriene骨架的类固醇的用途，用于治疗雌激素缺乏引起的疾病和病况，以及将gonatriene结构部分用于总结构中具有有利于它们在骨骼中的雌激素作用而非子宫的化合物的解离。
• 18-NOR-STEROIDE ALS SELEKTIV WIRKSAME ESTROGENE
  申请人：Bayer Schering Pharma AG

  公开号：EP1226155B1

  公开（公告）日：2007-05-02
• US6958327B1
  申请人：——

  公开号：US6958327B1

  公开（公告）日：2005-10-25