5'-(3-fluorophenyl)spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one oxime

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5'-(3-fluorophenyl)spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one oxime
• 英文别名: N-[5'-(3-fluorophenyl)spiro[cyclohexane-1,3'-indole]-2'-yl]hydroxylamine
• 化学式: C₁₉H₁₉FN₂O
• 分子量: 310.371
• InChiKey: SQHGGAVQPXKGSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  44.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5''-(3-Fluorophenyl)spiro[cyclohexane-1,3''-[3H]indole]-2''(1''H)-thione 、 碘甲烷 在 4-二甲氨基吡啶 羟胺 、 sodium hydride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 以10%的产率得到5'-(3-fluorophenyl)spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one oxime
  参考文献：
  名称：

  Thio-oxindole derivatives

  摘要：

  这项发明涉及激素受体的激动剂化合物，其具有以下一般结构： 其中： R1和R2为H、烷基、取代烷基；OH；O(烷基)；O(取代烷基)；OAc；芳基；取代芳基；杂环芳基；取代杂环芳基；烷基芳基；烷基杂环芳基；1-丙炔基；或3-丙炔基；或R1和R2连接形成烷基、烯基或杂环环；或R1和R2共同包括与CMe2形成双键的C(环烷基)、O或C(环醚)；R3为H、OH、NH2、C1至C6烷基、取代C1至C6烷基、C3至C6烯基、炔基、取代炔基，或CORA；RA为H、C1至C3烷基、取代C1至C3烷基、C1至C3烷氧基、取代C1至C3烷氧基、C1至C3氨基烷基，或取代C1至C3氨基烷基；R4为H、卤素、CN、NH2、NO2、C1至C6烷基，或取代C1至C6烷基、C1至C6烷氧基，取代C1至C6烷氧基、C1至C6氨基烷基，或取代C1至C6氨基烷基；R5为可选择取代并选自苯环、具有1、2或3个来自O、S、SO、SO2或NR6的杂原子的五元或六元杂环环；或吲哚-4-基、吲哚-7-基或苯并-2-噻吩基团；Q1为S、NR7、CR8R9；或其药学上可接受的盐，以及使用这些化合物诱导避孕或治疗与孕激素相关的癌症和腺癌的方法。

  公开号：

  US06355648B1

文献信息

• Methods of treating skin disorders using thio-oxindole derivatives
  申请人：Wyeth

  公开号：US20040006122A1

  公开（公告）日：2004-01-08

  The present invention provides methods of treating skin disorders includes delivering to a mammal a composition containing a compound of formula I, or tautomers thereof, in a regimen, wherein formula I is: 1 and wherein R 1 -R 5 and Q 1 are defined as described herein. Specifically, methods for treating acne, hirsutism, and a composition for conditioning the skin are described.

  本发明提供了治疗皮肤疾病的方法，包括向哺乳动物按疗程递送含有式I化合物或其同系物的组合物，其中式I为： 1 其中 R 1 -R 5 和 Q 1 的定义如本文所述。具体来说，本文描述了治疗痤疮、多毛症的方法和一种用于调节皮肤的组合物。
• Methods of treating hormone-related conditions using thio-oxindole derivatives
  申请人：Wyeth

  公开号：US20040002535A1

  公开（公告）日：2004-01-01

  The present invention provides methods of inducing contraception which includes delivering to a female a composition containing a compound of formula I, or tautomers thereof, in a regimen which involves delivering one or more of a selective estrogen receptor modulator, wherein formula I is: 1 and wherein R 1 -R 5 and Q 1 are defined as described herein. Methods of providing hormone replacement therapy and for treating carcinomas, dysfunctional bleeding, uterine leiomyomata, endometriosis, and polycystic ovary syndrome is provided which includes delivering a compound of formula I and a selective estrogen receptor modulator are also described.
• METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES
  申请人：Fensome Andrew

  公开号：US20090099223A1

  公开（公告）日：2009-04-16

  The present invention provides methods of inducing contraception which includes delivering to a female a composition containing a compound of formula I, or tautomers thereof, in a regimen which involves delivering one or more of a selective estrogen receptor modulator, wherein formula I is: and wherein R 1 -R 5 and Q 1 are defined as described herein. Methods of providing hormone replacement therapy and for treating carcinomas, dysfunctional bleeding, uterine leiomyomata, endometriosis, and polycystic ovary syndrome is provided which includes delivering a compound of formula I and a selective estrogen receptor modulator are also described.
• Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives
  申请人：Fensome Andrew

  公开号：US20120220558A1

  公开（公告）日：2012-08-30

  The present invention provides methods of inducing contraception which includes delivering to a female a composition containing a compound of formula I, or tautomers thereof, in a regimen which involves delivering one or more of a selective estrogen receptor modulator, wherein formula I is: and wherein R 1 -R 5 and Q 1 are defined as described herein. Methods of providing hormone replacement therapy and for treating carcinomas, dysfunctional bleeding, uterine leiomyomata, endometriosis, and polycystic ovary syndrome is provided which includes delivering a compound of formula I and a selective estrogen receptor modulator are also described.
• US6521657B2
  申请人：——

  公开号：US6521657B2

  公开（公告）日：2003-02-18