(6-hydroxy-2-cyclopentylbenzo[b]thien-3-yl)[4-[2-(dimethylamino)-ethoxy]phenyl]methanone | 150797-63-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (6-hydroxy-2-cyclopentylbenzo[b]thien-3-yl)[4-[2-(dimethylamino)-ethoxy]phenyl]methanone
• 英文别名: (6-hydroxy-2-cyclopentylbenzo[b]thien-3-yl)[4-[2-(dimethylamino) ethoxy]phenyl]methanone；(6-hydroxy-2-cyclopentylbenzo[b]thien-3-yl)[4-[2-(dimethylamino)ethoxy]phenyl]methanone；(6-hydroxy-2-cyclopentylbenzo[b]thien-3yl)[4-[2-(dimethylamino)ethoxy]phenyl]methanone；(2-cyclopentyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
• CAS: 150797-63-0
• 化学式: C₂₄H₂₇NO₃S
• 分子量: 409.549
• InChiKey: UGDGJFROWITAFM-UHFFFAOYSA-N

物化性质

• 沸点：
  606.5±55.0 °C(predicted)
• 密度：
  1.226±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (6-methoxy-2-cyclopentylbenzo[b]thien-3-yl)[4-[2-(dimethylamino)ethoxy]phenyl]methanone 在 三氯化铝 盐酸 、 碳酸氢钠 、 乙硫醇 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 (6-hydroxy-2-cyclopentylbenzo[b]thien-3-yl)[4-[2-(dimethylamino)-ethoxy]phenyl]methanone
  参考文献：
  名称：

  Methods for lowering serum cholesterol

  摘要：

  一种降低血清胆固醇水平的方法，包括向需要治疗的人类施用具有以下式子的化合物的有效量：##STR1## 其中R是氢；羟基；C.sub.1-C.sub.6烷氧基；式子--O--C(O)--R.sup.a的基团，其中R.sup.a是氢，可选择地取代的C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6烯基，可选择地用芳基取代，C.sub.3-C.sub.7环烷基，可选择地用芳基取代，或R.sup.a是可选择地取代的--O--芳基，或R是式子--O--SO.sub.2--R.sup.b的基团，其中R.sup.b可以是C.sub.1-C.sub.6烷基或可选择地取代的芳基；或R是羰酰氧基，其中氮可以一次或两次用C.sub.1-C.sub.6烷基取代；或R是式子--O--C(O)R.sup.c--O--(C.sub.1-C.sub.6烷基)的基团，其中R.sup.c是键或C.sub.1-C.sub.6烷二基；R.sup.1是卤素，C.sub.1-C.sub.6烷基，C.sub.1-C.sub.7烷基，用C.sub.1-C.sub.6烷基取代或未取代的C.sub.3-C.sub.7环烷基，或用C.sub.3-C.sub.7环烯基取代或未取代的C.sub.3-C.sub.7环烷基；R.sup.2是O或CH.sub.2；R.sup.3是CH.sub.2或(CH.sub.2).sub.2；R.sup.4是##STR2## CH.sub.2或键；R.sup.5是吡咯烷基或哌啶基。

  公开号：

  US05482950A1

文献信息

• Benzothiophene derivative
  申请人：Teikoku Hormone Mfg. Co., Ltd.

  公开号：US05472962A1

  公开（公告）日：1995-12-05

  A benzothiophene derivative represented by the formula ##STR1## or a salt thereof has an excellent antiestrogenic activity, and is useful as a therapeutic agent of breast cancer, endometrial cancer, endometriosis, mastopathy, etc. This compound is characterized in that the 2-position (the substituent R.sup.2) of the benzothiophene nucleus is substituted by a halogen atom; a lower alkyl group; or a cycloalkyl or cycloalkenyl group optionally substituted by a lower alkyl group, a hydroxyl group, acyloxy group or an oxo group.

  一种由公式##STR1##表示的苯并噻吩衍生物或其盐具有出色的抗雌激素活性，并可用作乳腺癌、子宫内膜癌、子宫内膜异位症、乳房病等的治疗剂。该化合物的特点在于苯并噻吩核的2位（取代基R.sup.2）被卤素原子；低碳基；或环烷基或环烯基取代，可选地取代为低碳基，羟基，酰氧基或羰基。
• Methods for inhibiting bone loss using substituted benzothiophene
  申请人：Eli Lilly and Company

  公开号：US05441964A1

  公开（公告）日：1995-08-15

  A method of inhibiting bone loss comprising administering to a human in need of treatment an effective amount of a substituted benzothiophene.

  一种抑制骨质流失的方法，包括向需要治疗的人类施用有效量的取代苯并噻吩。
• Methods for inhibiting uterine fibrosis
  申请人：Eli Lilly and Company

  公开号：US05480904A1

  公开（公告）日：1996-01-02

  A method of inhibiting uterine fibrosis comprising administering to a human in need of treatment an effective amount of a benzothiophene compound.

  一种抑制子宫纤维化的方法，包括向需要治疗的人类施用有效量的苯并噻吩化合物。
• 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。
• Method for lowering serum cholesterol
  申请人：Eli Lilly and Company

  公开号：US05552433A1

  公开（公告）日：1996-09-03

  A method of lowering serum cholesterol levels is disclosed comprising administering to a human in need of treatment an effective amount of a compound having the formula ##STR1## wherein R is herein defined; R.sup.1 is halo, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.7 alkyl substituted with C.sub.1 -C.sub.6 alkyl, substituted or unsubstituted C.sub.3 -C.sub.7 cycloalkyl, or substituted or unsubstituted C.sub.3 -C.sub.7 cycloalkenyl; R.sup.2 is O or CH.sub.2 ; R.sup.3 is CH.sub.2 or (CH.sub.2).sub.2 ; R.sup.4 is ##STR2## CH.sub.2, or a bond; and R.sup.5 is amino, or a pharmaceutically acceptable salt or solvate thereof.

  揭示了一种降低血清胆固醇水平的方法，包括向需要治疗的人类施用具有公式##STR1##的化合物的有效量，其中R在此定义；R.sup.1是卤素，C.sub.1-C.sub.6烷基，C.sub.1-C.sub.7烷基被C.sub.1-C.sub.6烷基取代，被取代或未取代的C.sub.3-C.sub.7环烷基，或被取代或未取代的C.sub.3-C.sub.7环烯基；R.sup.2是O或CH.sub.2；R.sup.3是CH.sub.2或（CH.sub.2）.sub.2；R.sup.4是##STR2##，CH.sub.2或键；R.sup.5是氨基，或其药学上可接受的盐或溶剂。