ethyl 5-amino-1-(1,1'-biphenyl-4-ylmethyl)-3-phenyl-1H-indole-2-carboxylate | 849364-30-3

• 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: ethyl 5-amino-1-(1,1'-biphenyl-4-ylmethyl)-3-phenyl-1H-indole-2-carboxylate
• 英文别名: ethyl 5-amino-3-phenyl-1-[(4-phenylphenyl)methyl]indole-2-carboxylate
• CAS: 849364-30-3
• 化学式: C₃₀H₂₆N₂O₂
• 分子量: 446.549
• InChiKey: KZNZLSIRUPZLLT-UHFFFAOYSA-N

物化性质

• 沸点：
  700.1±60.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 5-amino-1-(1,1'-biphenyl-4-ylmethyl)-3-phenyl-1H-indole-2-carboxylate 在 lithium hydroxide 、 三乙胺 作用下， 生成 1-(1,1'-biphenyl-4-ylmethyl)-3-phenyl-5-[(phenylsulfonyl)amino]-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and SAR of 2-carboxylic acid indoles as inhibitors of plasminogen activator inhibitor-1

  摘要：

  We synthesized and evaluated a novel series of 2-carboxylic acid indole-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). Systematic modification of the N-1 position and the 5-position of the indole scaffold resulted in the identification of several compounds that showed good potency against PAI-1 in the spectro photometric assay. This potency did not always translate to the antibody assay. Solubility and serum protein binding studies on selected analogs revealed that protein binding might be a factor in the poor correlation between the two assays. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.095
• 作为产物：
  描述：

  4-溴甲基联苯 在 镍 、 caesium carbonate 、 肼 作用下， 以 乙醇 为溶剂， 生成 ethyl 5-amino-1-(1,1'-biphenyl-4-ylmethyl)-3-phenyl-1H-indole-2-carboxylate
  参考文献：
  名称：

  Synthesis and SAR of 2-carboxylic acid indoles as inhibitors of plasminogen activator inhibitor-1

  摘要：

  We synthesized and evaluated a novel series of 2-carboxylic acid indole-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). Systematic modification of the N-1 position and the 5-position of the indole scaffold resulted in the identification of several compounds that showed good potency against PAI-1 in the spectro photometric assay. This potency did not always translate to the antibody assay. Solubility and serum protein binding studies on selected analogs revealed that protein binding might be a factor in the poor correlation between the two assays. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.095

文献信息

• [EN] SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1<br/>[FR] PYRROLE-INDOLES A SUBSTITUTION INHIBITEURS DE PAI-1
  申请人：WYETH CORP

  公开号：WO2005030756A1

  公开（公告）日：2005-04-07

  The present invention relates to substituted pyrrole-indoles of Formula 1 and methods of using them as inhibitors of PAI-1.

  本发明涉及Formula 1中的取代吡咯吲哚化合物以及将其用作PAI-1抑制剂的方法。
• [EN] HETEROCYCLIC- OR ARYLOXY, -THIO OR -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1<br/>[FR] ACIDES OU ESTERS D'INDOLES-2-CARBOXYLIQUE HETEROCYCLIQUE OU ARYLOXY, -THIO OU -AMINO SUBSTITUES EN TANT QUE PAI-1
  申请人：WYETH CORP

  公开号：WO2005030716A1

  公开（公告）日：2005-04-07

  The present invention relates generally to substituted indoles such as substituted 1H-indole-2-carboxylic acid derivatives, and methods of using them.

  本发明涉及取代吲哚，如取代1H-吲哚-2-羧酸衍生物，以及使用它们的方法。
• [EN] SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS<br/>[FR] DERIVES D'ACIDE SULFONAMIDE-INDOLE-2-CARBOXYLIQUE SUBSTITUES UTILISES EN TANT QU'INHIBITEURS DE PAI-1
  申请人：WYETH CORP

  公开号：WO2005030715A1

  公开（公告）日：2005-04-07

  The present invention relates generally to substituted sulfonamide indoles such as substituted sulfonamide indoles, and methods of using them.

  本发明通常涉及替代磺酰胺吲哚，例如替代磺酰胺吲哚，以及使用它们的方法。
• Substituted sulfonamide-indoles
  申请人：Hu Baihua

  公开号：US20050096377A1

  公开（公告）日：2005-05-05

  The present invention relates generally to substituted sulfonamide indoles such as substituted sulfonamide indoles, and methods of using them.

  本发明涉及替代磺酰胺吲哚类化合物，例如替代磺酰胺吲哚，并且涉及使用它们的方法。
• Substituted pyrrole-indoles
  申请人：Hu Baihua

  公开号：US20050113439A1

  公开（公告）日：2005-05-26

  The present invention relates generally to substituted pyrrole-indoles such as substituted pyrrole-indoles, and methods of using them.

  本发明涉及一般的取代吡咯-吲哚类化合物，例如取代吡咯-吲哚类化合物，以及使用它们的方法。