N-(3,4-dichlorobenzyl)-5-hydroxy-3-methylindole-2-carboxylic acid

• 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-(3,4-dichlorobenzyl)-5-hydroxy-3-methylindole-2-carboxylic acid
• 英文别名: 1-[(3,4-Dichlorophenyl)methyl]-5-hydroxy-3-methylindole-2-carboxylic acid
• 化学式: C₁₇H₁₃Cl₂NO₃
• 分子量: 350.201
• InChiKey: SKTOFQVRQATULP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 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：
  3

文献信息

• INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS
  申请人：AstraZeneca AB

  公开号：EP1150952B1

  公开（公告）日：2004-10-27
• US6737435B1
  申请人：——

  公开号：US6737435B1

  公开（公告）日：2004-05-18
• [EN] INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS<br/>[FR] DERIVES D'INDOLE ET LEUR UTILISATION COMME ANTAGONISTES VIS-A-VIS DE LA PROTEINE 1 AYANT UN CHIMIOTACTISME POSITIF SUR LES MONOCYTES (MCP-1)
  申请人：ASTRAZENECA UK LTD

  公开号：WO2000046196A1

  公开（公告）日：2000-08-10

  A compound of formula (I) wherein R1 is hydrogen, halo or methoxy; R2 is hydrogen, halo, methyl, ethyl or methoxy; R3 is carboxy, tetrazolyl, or -CONHSO2R4 where R4 is methyl, ethyl, phenyl, 2,5-dimethylisoxazolyl or trifluoromethyl; T is -CH¿2?- or -SO2-; and ring A is 3-chlorophenyl, 4-chlorophenyl, 3-trifluoromethylphenyl, 3,4-dichlorophenyl, 3,4-difluorophenyl, 3-fluoro-4-chlorophenyl, 3-chloro-4-fluorophenyl or 2,3-dichloropyrid-5-yl; or a pharmaceutically acceptable salt or prodrug thereof, as well as pharmaceutical compositions containing them are described and claimed. These compounds and compositions are useful in the treatment of disease mediated by monocyte chemoattractant protein-1 or RANTES (Regulated Upon Activation, Normal T-cell Expressed and Secreted), such as inflammatory disease.