ethyl N-[1-(4-hydroxy-3-phenethylbenzyl)-2,7-dimethyl-1H-indol-4-yl]malonamate | 1000602-88-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: ethyl N-[1-(4-hydroxy-3-phenethylbenzyl)-2,7-dimethyl-1H-indol-4-yl]malonamate
• 英文别名: Ethyl 3-[[1-[[4-hydroxy-3-(2-phenylethyl)phenyl]methyl]-2,7-dimethylindol-4-yl]amino]-3-oxopropanoate
• CAS: 1000602-88-9
• 化学式: C₃₀H₃₂N₂O₄
• 分子量: 484.595
• InChiKey: GOJCDQIFVHKWQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• NOVEL 6-5 BICYCIC HETEROCYCLIC DERIVATIVE AND MEDICAL USE THEREOF
  申请人：Sanwa Kagaku Kenkyusho Co., Ltd

  公开号：EP2036887A1

  公开（公告）日：2009-03-18

  An object of the present invention is to provide a medicament as a thyroid hormone receptor ligand which is sufficient in drug efficacy and safety, and has the excellent action as a drug. The present invention provides a compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof: [wherein [Chemical Formula 2] is a single bond or a double bond; A is -CH2- or -CO-; X, Y, and Z are each independently a nitrogen atom or a carbon atom; R1 is a hydrogen atom or an aralkyl group; R2 is an alkyl group or an aralkyl group, etc.; R3 is a hydrogen atom or an alkyl group, etc.; R4 is a hydrogen atom or an alkyl group; R5 is a hydrogen atom, an alkyl group or a halo lower alkyl group, etc.; R6 is a hydrogen atom or an alkyl group; R7 is a hydrogen atom, etc.; R8 is a hydrogen atom, or an alkyl group, etc.; and E is -NHCO-G-COR12, etc. (wherein G is a single bond or an alkylene group, and R12 is a hydroxy group or an alkoxy group)].

  本发明的目的是提供一种药物，作为甲状腺激素受体配体，其在药物疗效和安全性上足够，并且具有作为药物的优秀作用。本发明提供了一种由以下通式（I）表示的化合物或其药用可接受的盐：[其中[化学公式2]是单键或双键；A是-CH2-或-CO-；X、Y和Z各自独立为氮原子或碳原子；R1是氢原子或芳烷基团；R2是烷基团或芳烷基团等；R3是氢原子或烷基团等；R4是氢原子或烷基团；R5是氢原子、烷基团或卤素低烷基团等；R6是氢原子或烷基团；R7是氢原子等；R8是氢原子或烷基团等；E是-NHCO-G-COR12等（其中G是单键或亚烷基团，R12是羟基或烷氧基）]。
• NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY
  申请人：Asano Yukiyasu

  公开号：US20090176841A1

  公开（公告）日：2009-07-09

  An object of the present invention is to provide a medicament as a thyroid hormone receptor ligand which is sufficient in drug efficacy and safety, and has the excellent action as a drug. The present invention provides a compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof: [wherein [Chemical Formula 2] is a single bond or a double bond; A is —CH 2 — or —CO—; X, Y, and Z are each independently a nitrogen atom or a carbon atom; R 1 is a hydrogen atom or an aralkyl group; R 2 is an alkyl group or an aralkyl group, etc.; R 3 is a hydrogen atom or an alkyl group, etc.; R 4 is a hydrogen atom or an alkyl group; R 5 is a hydrogen atom, an alkyl group or a halo lower alkyl group, etc.; R 6 is a hydrogen atom or an alkyl group; R 7 is a hydrogen atom, etc.; R 8 is a hydrogen atom, or an alkyl group, etc.; and E is —NHCO-G-COR 12 , etc. (wherein G is a single bond or an alkylene group, and R 12 is a hydroxy group or an alkoxy group)].

  本发明的目的是提供一种作为甲状腺激素受体配体的药物，具有充分的药效和安全性，并具有优秀的药物作用。本发明提供了以下通式（I）所表示的化合物或其药学上可接受的盐：[其中[化学式2]是单键或双键；A是-CH2-或-CO-；X、Y和Z分别是氮原子或碳原子；R1是氢原子或芳基烷基；R2是烷基或芳基烷基等；R3是氢原子或烷基等；R4是氢原子或烷基；R5是氢原子、烷基或卤代低烷基等；R6是氢原子或烷基；R7是氢原子等；R8是氢原子或烷基等；E是-NHCO-G-COR12等（其中G是单键或烷基亚基，R12是羟基或烷氧基）]。