N-(3-trifluoromethyl-4-chlorobenzyl)-5-hydroxyindole-2-carboxylic acid | 350596-37-1

• 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: N-(3-trifluoromethyl-4-chlorobenzyl)-5-hydroxyindole-2-carboxylic acid
• 英文别名: 1-[[4-Chloro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxyindole-2-carboxylic acid
• CAS: 350596-37-1
• 化学式: C₁₇H₁₁ClF₃NO₃
• 分子量: 369.727
• InChiKey: FFJIOGAAFGBMMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  62.5
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Indole derivatives as mcp-1 receptor antagonists
  申请人：——

  公开号：US20030144339A1

  公开（公告）日：2003-07-31

  A compound of formula (I) wherein: R 1 is hydrogen, halo or methoxy; R 2 is hydrogen, halo, methyl, ethyl or methoxy; R 3 is a halo group or a trifluoromethyl group; R 4 is a halo group or a trifluoromethyl group; R 5 is hydrogen or halo; R 6 is hydrogen or halo; provided that when R 5 and R 6 are both hydrogen, and one of R 3 or R 4 is chloro or fluoro, then the other is not chloro or fluoro; or a pharmaceutically acceptable salt or prodrug thereof. These compounds have useful activity for the treatment of inflammatory disease, specifically in antagonising an MCP-1 mediated effect in a warm-blooded animal such as a human being.

  一种化合物的化学式（I），其中：R1为氢、卤素或甲氧基；R2为氢、卤素、甲基、乙基或甲氧基；R3为卤素基团或三氟甲基基团；R4为卤素基团或三氟甲基基团；R5为氢或卤素；R6为氢或卤素；但是当R5和R6都为氢，并且R3或R4中的一个为氯或氟时，则另一个不是氯或氟；或其药用可接受的盐或前药。这些化合物对于治疗炎症性疾病具有有用活性，特别是在拮抗MCP-1介导的效应方面，在温血动物（如人类）中。
• INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS
  申请人：AstraZeneca AB

  公开号：EP1252142A1

  公开（公告）日：2002-10-30
• [EN] INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES D'INDOLE EN TANT QU'ANTAGONISTES DU RECEPTEUR DE MCP-1
  申请人：ASTRAZENECA AB

  公开号：WO2001051466A1

  公开（公告）日：2001-07-19

  A compound of formula (I) wherein: R1 is hydrogen, halo or methoxy; R2 is hydrogen, halo, methyl, ethyl or methoxy; R3 is a halo group or a trifluoromethyl group; R4 is a halo group or a trifluoromethyl group; R5 is hydrogen or halo; R6 is hydrogen or halo; provided that when R?5 and R6¿ are both hydrogen, and one of R3 or R4 is chloro or fluoro, then the other is not chloro or fluoro; or a pharmaceutically acceptable salt or prodrug thereof. These compounds have useful activity for the treatment of inflammatory disease, specifically in antagonising an MCP-1 mediated effect in a warm-blooded animal such as a human being.