5-(4-phenylpiperazin-1-yl)-1H-indole | 1338782-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-(4-phenylpiperazin-1-yl)-1H-indole
• CAS: 1338782-49-2
• 化学式: C₁₈H₁₉N₃
• 分子量: 277.369
• InChiKey: WNNUJFMGKZFLNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  22.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-phenylpiperazin-1-yl)-1H-indole 、 生成 methyl 5-nitro-2-(2-((5-(4-phenylpiperazin-1-yl)-1H-indol-1-yl)methyl)phenoxy)benzoate
  参考文献：
  名称：

  Discovery of inhibitors of plasminogen activator inhibitor-1: Structure–activity study of 5-nitro-2-phenoxybenzoic acid derivatives

  摘要：

  Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.031
• 作为产物：
  描述：

  N-叔丁氧羰基-5-溴吲哚 在 potassium phosphate 、 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 乙二醇二甲醚 为溶剂， 生成 5-(4-phenylpiperazin-1-yl)-1H-indole
  参考文献：
  名称：

  Discovery of inhibitors of plasminogen activator inhibitor-1: Structure–activity study of 5-nitro-2-phenoxybenzoic acid derivatives

  摘要：

  Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.031

文献信息

• Discovery of inhibitors of plasminogen activator inhibitor-1: Structure–activity study of 5-nitro-2-phenoxybenzoic acid derivatives
  作者：Vrajesh Pandya、Mukul Jain、Ganes Chakrabarti、Hitesh Soni、Bhavesh Parmar、Balaji Chaugule、Jigar Patel、Jignesh Joshi、Nirav Joshi、Akshyaya Rath、Mehul Raviya、Mubeen Shaikh、Kalapatapu V.V.M. Sairam、Harilal Patel、Pankaj Patel

  DOI：10.1016/j.bmcl.2011.08.031

  日期：2011.10

  Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents. (C) 2011 Elsevier Ltd. All rights reserved.