(6-Hydroxy-2-cyclohexylbenzo[b]thien-3-yl)[4-[3-(diethylamino)propoxy]phenyl]methanone | 150797-97-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (6-Hydroxy-2-cyclohexylbenzo[b]thien-3-yl)[4-[3-(diethylamino)propoxy]phenyl]methanone
• 英文别名: (2-Cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[3-(diethylamino)propoxy]phenyl]methanone
• CAS: 150797-97-0
• 化学式: C₂₈H₃₅NO₃S
• 分子量: 465.657
• InChiKey: OPIOTEZYIJCXOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Methods for inhibiting bone loss
  申请人：ELI LILLY AND COMPANY

  公开号：EP0651998A1

  公开（公告）日：1995-05-10

  A method of inhibiting bone loss comprising administering to a human in need of treatment an effective amount of a compound having the formula    wherein R is hydrogen; hydroxy; C₁-C₆ alkoxy; a group of the formula -O-C(O)-Ra, wherein Ra is hydrogen, C₁-C₆ alkyl optionally substituted with amino, halo, carbonyl, C₁-C₆ alkoxycarbonyl, C₁-C₇ alkanoyloxy, carbamoyl and/or aryl; or Ra is C₁-C₆ alkenyl optionally substituted with aryl; or Ra is a C₃-C₇ cycloalkyl; or Ra is aryl optionally substituted with hydroxy, C₁-C₆ alkyl, C₁-C₆ alkoxy, and/or halo; or Ra is -O-aryl, said aryl optionally substituted with hydroxy C₁-C₆ alkyl, C₁-C₆ alkoxy, and/or halo,    or R is a group of the formula -O-SO₂-Rb wherein Rb may be C₁-C₆ alkyl or aryl optionally substituted with C₁-C₆ alkyl;    or R is carbamoyloxy wherein the nitrogen may be substituted once or twice with C₁-C₆ alkyl;    or R is a group of the formula -O-C(O)Rc-O-(C₁-C₆ alkyl) wherein Rc is a bond or C₁-C₆ alkanediyl;    R¹ is halo, C₁-C₆ alkyl, C₁-C₇ alkyl substituted with C₁-C₆ alkyl, substituted or unsubstituted C₃-C₇ cycloalkyl, or substituted or unsubstituted C₃-C₇ cycloalkenyl;    R² is O or CH₂;    R³ is CH₂ or (CH₂)₂;    R⁴ is CH₂, or a bond; and    R⁵ is amino, nitrilo optionally substituted once or twice with C₁-C₆ alkyl; or an N-heterocyclic ring which optionally has another hetero atom selected from N, O, or S in said ring; or a pharmaceutically acceptable salt or solvate thereof.

  一种抑制骨质流失的方法，包括向需要治疗的人体内投与一定量的具有以下式子的化合物：其中R为氢；羟基；C₁-C₆烷氧基；式子-O-C(O)-Ra的基团，其中Ra为氢，C₁-C₆烷基，可选地被氨基，卤素，羰基，C₁-C₆烷氧羰基，C₁-C₇脂肪酰氧基，氨基甲酰和/或芳基取代；或Ra为C₁-C₆烯基，可选地被芳基取代；或Ra为C₃-C₇环烷基；或Ra为芳基，可选地被羟基，C₁-C₆烷基，C₁-C₆烷氧基和/或卤素取代；或Ra为-O-芳基，所述芳基可选地被羟基，C₁-C₆烷基，C₁-C₆烷氧基和/或卤素取代，或R为式子-O-SO₂-Rb的基团，其中Rb可以是C₁-C₆烷基或可选地被C₁-C₆烷基取代的芳基；或R为氨基甲酰氧基，其中氮原子可以被C₁-C₆烷基取代一次或两次；或R为式子-O-C(O)Rc-O-(C₁-C₆烷基)的基团，其中Rc为键或C₁-C₆烷二基；R¹为卤素，C₁-C₆烷基，可选地被C₁-C₆烷基取代的C₁-C₇烷基，取代或未取代的C₃-C₇环烷基，或取代或未取代的C₃-C₇环烯基；R²为O或CH₂；R³为CH₂或(CH₂)₂；R⁴为CH₂或键；R⁵为氨基，一次或两次可选地被C₁-C₆烷基取代的氮甲基，或在所述环中可选地有另一种异原子N、O或S的N-杂环，或其药学上可接受的盐或溶剂。
• NOVEL BENZOTHIOPHENE DERIVATIVE
  申请人：TEIKOKU HORMONE MFG. CO., LTD.

  公开号：EP0641791A1

  公开（公告）日：1995-03-08

  A benzothiophene derivative represented by general formula (I) or a salt thereof, which has an excellent antiestrogenic activity and is useful for treating breast cancer, endometrial cancer, endometriosis, mastopathy, and so forth. This compound is characterized in that the 2-position, i.e. substituent R², of the benzothiophene ring is substituted by a halogen atom, a lower alkyl group, or a cycloalkyl or cycloalkenyl group which may be substituted by a lower alkyl, hydroxy, acyloxy or oxo.

  一种由通式(I)代表的苯并噻吩衍生物或其盐，具有优异的抗雌激素活性，可用于治疗乳腺癌、子宫内膜癌、子宫内膜异位症、乳腺病等。该化合物的特征在于苯并噻吩环的 2-位，即取代基 R² 被卤原子、低级烷基或环烷基或环烷烯基所取代，而环烷基或环烷烯基可被低级烷基、羟基、酰氧基或氧代所取代。
• US5472962A
  申请人：——

  公开号：US5472962A

  公开（公告）日：1995-12-05
• US5556876A
  申请人：——

  公开号：US5556876A

  公开（公告）日：1996-09-17