3-(2-chloro-3-fluoro-4-hydroxy-phenyl)-1-oxo-1,3a,4,5,6,6a-hexahydro-pentalene-2-carbonitrile | 1104634-71-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 3-(2-chloro-3-fluoro-4-hydroxy-phenyl)-1-oxo-1,3a,4,5,6,6a-hexahydro-pentalene-2-carbonitrile
• 英文别名: 1-(2-chloro-3-fluoro-4-hydroxyphenyl)-3-oxo-4,5,6,6a-tetrahydro-3aH-pentalene-2-carbonitrile
• CAS: 1104634-71-0
• 化学式: C₁₅H₁₁ClFNO₂
• 分子量: 291.709
• InChiKey: DQMZIYSSMMRRDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] NOVEL ESTROGEN RECEPTOR LIGANDS<br/>[FR] NOUVEAUX LIGANDS RÉCEPTEURS D'OETROGÈNES
  申请人：KAROBIO AB

  公开号：WO2009012954A1

  公开（公告）日：2009-01-29

  The invention provides a compound of formula (I) or a pharmaceutically acceptable ester, amide, solvate or salt thereof, including a salt of such an ester or amide, and a solvate of such an ester, amide or salt, wherein W, X, Y, Z, R1, R2, R7, R8, R9, R10, R11, R12, R13, R14, R15 and R16 are as defined in the specification. The invention also provides also provides the use of such compounds in the treatment or prophylaxis of a condition associated with a disease or disorder associated with estrogen receptor activity.

  本发明提供了一种公式（I）的化合物，或其药用可接受的酯、酰胺、溶剂化物或盐，包括这样的酯或酰胺的盐，以及这样的酯、酰胺或盐的溶剂化物，其中W、X、Y、Z、R1、R2、R7、R8、R9、R10、R11、R12、R13、R14、R15和R16如说明书中所定义。本发明还提供了将此类化合物用于治疗或预防与雌激素受体活性相关的疾病或障碍相关状况的方法。
• NOVEL ESTROGEN RECEPTOR LIGANDS
  申请人：Apelqvist Theresa

  公开号：US20100210524A1

  公开（公告）日：2010-08-19

  The invention provides a compound of formula (I) or a pharmaceutically acceptable ester, amide, solvate or salt thereof, including a salt of such an ester or amide, and a solvate of such an ester, amide or salt, wherein W, X, Y, Z, R 1 , R 2 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 and R 16 are as defined in the specification. The invention also provides also provides the use of such compounds in the treatment or prophylaxis of a condition associated with a disease or disorder associated with estrogen receptor activity.

  本发明提供了公式（I）的化合物或其药学上可接受的酯，酰胺，溶剂化物或盐，包括这种酯或酰胺的盐，以及这种酯，酰胺或盐的溶剂化物，其中W，X，Y，Z，R1，R2，R7，R8，R9，R10，R11，R12，R13，R14，R15和R16如规范中所定义。本发明还提供了这种化合物在治疗或预防与雌激素受体活性相关的疾病或疾病相关疾病的条件中的使用。