(4aR,5R,6R,7R)-6-Cyclopropylmethoxy-7-hydroxy-4a,5,6,7-tetrahydro-1,3,4a,5-tetramethylbenz[f]indol-2(4H)-one | 209331-12-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4aR,5R,6R,7R)-6-Cyclopropylmethoxy-7-hydroxy-4a,5,6,7-tetrahydro-1,3,4a,5-tetramethylbenz[f]indol-2(4H)-one
• 英文别名: (4aR,5R,6R,7R)-6-(cyclopropylmethoxy)-7-hydroxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one
• CAS: 209331-12-4
• 化学式: C₂₀H₂₇NO₃
• 分子量: 329.439
• InChiKey: BBDHCWAWIDMTJI-HFSCJMQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL TETRAHYDROBENZINDOLONE DERIVATIVES
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0947507A1

  公开（公告）日：1999-10-06

  Compounds represented by the following formula (I) or pharmaceutically acceptable salts thereof and a process for producing the same are disclosed. The compounds have progesterone receptor binding inhibitory activity and, hence, can be used as therapeutic and prophylactic agents for progesterone-related diseases. Specifically, they are useful as carcinostatic agents for breast cancer and ovarian cancer, therapeutic agents for hysteromyoma, endometriosis, meningioma, and myeloma, abortifacients, oral contraceptive pills, and therapeutic and prophylactic agents for osteoporosis and climacteric disturbance. wherein R1 represents alkyl or aralkyl; R2 represents a hydrogen atom, alkylcarbonyl, cycloalkylcarbonyl, aromatic acyl, heteroaromatic acyl, saturated heterocyclic acyl, alkyl, alkenyl, aralkyl, carbamoyl, alkylcarbamoyl, aromatic carbamoyl, aralkylcarbamoyl, alkylaminocarbonyl, cycloalkylcarbamoyl, alkoxycarbonyl, aryloxycarbonyl, heteroaromatic thiocarbonyl, saturated heterocyclic thiocarbonyl, or alkyl-thiocarbamoyl: and R3 represents a hydrogen atom, a hydroxyl group, alkyloxy, alkylcarbonyloxy, alkylthio, or arylthio.

  本发明公开了下式(I)所代表的化合物或其药学上可接受的盐类及其生产工艺。这些化合物具有黄体酮受体结合抑制活性，因此可用作治疗和预防黄体酮相关疾病的药物。具体来说，它们可用作乳腺癌和卵巢癌的抗癌剂、子宫肌瘤、子宫内膜异位症、脑膜瘤和骨髓瘤的治疗剂、堕胎药、口服避孕药以及骨质疏松症和更年期障碍的治疗和预防剂。 其中 R1 代表烷基或芳烷基；R2 代表氢原子、烷基羰基、环烷基羰基、芳香族酰基、杂芳香族酰基、饱和杂环酰基、烷基、烯基、芳烷基、氨基甲酰基、烷基氨基甲酰基、芳香族氨基甲酰基、芳烷基氨基甲酰基、环烷基氨基甲酰基、烷氧基羰基、芳氧基羰基、杂芳香族硫代羰基、饱和杂环硫代羰基或烷基硫代羰基：而 R3 代表氢原子、羟基、烷氧基、烷基羰氧基、烷硫基或芳硫基。
• US6077840A
  申请人：——

  公开号：US6077840A

  公开（公告）日：2000-06-20