9α-(hex1-enyl)-estra-1,3,5(10)-triene-3,16α-diol | 634910-59-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 9α-(hex1-enyl)-estra-1,3,5(10)-triene-3,16α-diol
• 英文别名: 9alpha-(Hex-1-enyl)-estra-1,3,5(10)-triene-3,16alpha-diol；(8S,9R,13R,14S,16R)-9-hex-1-enyl-13-methyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,16-diol
• CAS: 634910-59-1
• 化学式: C₂₄H₃₄O₂
• 分子量: 354.533
• InChiKey: HMQTXMOHYCPLPM-HYPCABPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  26
• 可旋转键数：
  4
• 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

反应信息

• 作为产物：
  描述：

  3,16α-dihydroxyestra-1,3,5(10)-triene-9-carbaldehyde 、 (1-戊基)三苯基溴化磷 在 sodium amide 、 水 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 以75%的产率得到9α-(hex1-enyl)-estra-1,3,5(10)-triene-3,16α-diol
  参考文献：
  名称：

  [DE] 9-ALPHA-SUBSTITUIERTE ESTRATRIENE ALS SELEKTIV WIRKSAME ESTROGENE
  [EN] 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN
  [FR] ESTRATRIENES 9-ALPHA SUBSTITUES SERVANT D'OESTROGENES SELECTIVEMENT ACTIFS

  摘要：

  公开号：

  WO2003104253A3

文献信息

• SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS
  申请人：KOSEMUND Dirk

  公开号：US20080132476A1

  公开（公告）日：2008-06-05

  This invention describes the new 9α-substituted estratrienes of general formula I in which R 3 , R 7 , R 7′ , R 13 , R 16 as well as R 17 and R 17′ have the meanings that are indicated in the description and R 9 means a straight-chain or branched-chain, optionally partially or completely halogenated alkenyl radical with 2 to 6 carbon atoms, an ethinyl or prop- 1 -inyl radical, as pharmaceutical active ingredients that exhibit in vitro a higher affinity to estrogen receptor preparations from rat prostates than to estrogen receptor preparations from rat uteri and in vivo preferably a preferential action on the ovary in comparison to the uterus, their production, their therapeutic use and pharmaceutical dispensing forms that contain the new compounds. The invention also describes the use of these compounds for treating estrogen-deficiency-induced diseases and conditions.

  该发明描述了通式I的新型9α-取代的雌三烯类化合物，其中R3、R7、R7'、R13、R16以及R17和R17'的含义如说明书所示，R9表示直链或支链、可选部分或完全卤代的烯基基团，其具有2至6个碳原子、乙炔基或丙-1-烯基，作为药物活性成分，它们在体外对来自大鼠前列腺的雌激素受体制备表现出比对来自大鼠子宫的雌激素受体制备更高的亲和力，在体内优先作用于卵巢而非子宫，还描述了它们的制备、治疗用途以及含有这些新化合物的制药处方形式。该发明还描述了利用这些化合物治疗雌激素缺乏引起的疾病和病状的用途。
• 9-α-substituted estratrienes as selectively active estrogens
  申请人：Schering AG

  公开号：US07414043B2

  公开（公告）日：2008-08-19

  This invention describes the new 9α-substituted estratrienes of general formula I in which R3, R7, R7′, R13, R16 as well as R17 and R17′ have the meanings that are indicated in the description and R9 means a straight-chain or branched-chain, optionally partially or completely halogenated alkenyl radical with 2 to 6 carbon atoms, an ethinyl or prop-1-inyl radical, as pharmaceutical active ingredients that exhibit in vitro a higher affinity to estrogen receptor preparations from rat prostates than to estrogen receptor preparations from rat uteri and in vivo preferably a preferential action on the ovary in comparison to the uterus, their production, their therapeutic use and pharmaceutical dispensing forms that contain the new compounds. The invention also describes the use of these compounds for treating estrogen-deficiency-induced diseases and conditions.

  本发明描述了新的9α-取代的雌三烯酮通式I，其中R3、R7、R7′、R13、R16以及R17和R17′具有说明书中指定的含义，R9表示直链或支链、可选部分或完全卤代的烯基基团，其具有2至6个碳原子，乙炔基或丙-1-炔基，作为药物活性成分，其在体外表现出对来自大鼠前列腺的雌激素受体制备的亲和力高于对来自大鼠子宫的雌激素受体制备的亲和力，并在体内优先作用于卵巢而非子宫，其生产、治疗使用和含有新化合物的制药分配形式。本发明还描述了这些化合物用于治疗雌激素缺乏引起的疾病和病状的用途。