1-(1-Benzenesulfonyl-4-bromo-1H-indol-2-yl)-ethanone | 460087-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(1-Benzenesulfonyl-4-bromo-1H-indol-2-yl)-ethanone
• 英文别名: 1-(1-Benzenesulfonyl-4-bromo-1H-indol-2-yl)ethanone；1-[1-(benzenesulfonyl)-4-bromoindol-2-yl]ethanone
• CAS: 460087-50-7
• 化学式: C₁₆H₁₂BrNO₃S
• 分子量: 378.246
• InChiKey: NNRWCRRSPHHVPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  64.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-Benzenesulfonyl-4-bromo-1H-indol-2-yl)-ethanone 在 氢氧化钾 、 sodium hydroxide 、 四(三苯基膦)钯 、 potassium tert-butylate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 (E)-3-[4-(2-Butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
  参考文献：
  名称：

  Design and synthesis of benzofused heterocyclic RXR modulators

  摘要：

  Benzofused heterocyclic analogs of the RXR selective modulator I (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the choice of heterocycle as well as the sidechain employed. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.03.073
• 作为产物：
  描述：

  4-bromo-1-(phenylsulfonyl)-1H-indole 在 三氯化铝 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-(1-Benzenesulfonyl-4-bromo-1H-indol-2-yl)-ethanone
  参考文献：
  名称：

  Design and synthesis of benzofused heterocyclic RXR modulators

  摘要：

  Benzofused heterocyclic analogs of the RXR selective modulator I (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the choice of heterocycle as well as the sidechain employed. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.03.073

文献信息

• Retinoid x receptor modulators
  申请人：——

  公开号：US20040167160A1

  公开（公告）日：2004-08-26

  The present invention is directed to compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof: (I). The invention is also directed to pharmaceutical compositions, methods of use and methods of making compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof.

  本发明涉及由结构式（I）表示的化合物及其药用可接受的盐、溶剂合物和水合物：（I）。该发明还涉及由结构式（I）表示的化合物及其药用可接受的盐、溶剂合物和水合物的药物组合物、使用方法和制备方法。
• Retinoid X receptor modulators
  申请人：Eli Lilly and Company

  公开号：US07348359B2

  公开（公告）日：2008-03-25

  The present invention is directed to compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof: (I). The invention is also directed to pharmaceutical compositions, methods of use and methods of making compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof.

  本发明涉及由结构式（I）表示的化合物及其药学上可接受的盐、溶剂和水合物：（I）。本发明还涉及由结构式（I）表示的化合物及其药学上可接受的盐、溶剂和水合物的制备方法、药物组合物和使用方法。
• RETINOID X RECEPTOR MODULATORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1373240A2

  公开（公告）日：2004-01-02
• US7348359B2
  申请人：——

  公开号：US7348359B2

  公开（公告）日：2008-03-25
• [EN] RETINOID X RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RECEPTEURS X DE RETINOIDES
  申请人：LILLY CO ELI

  公开号：WO2002071827A2

  公开（公告）日：2002-09-19

  The present invention is directed to compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof: (I). The invention is also directed to pharmaceutical compositions, methods of use and methods of making compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof.