Biphenyl-4-carboxylic acid [4-(3-methylamino-pyrrolidin-1-yl)-phenyl]-amide | 863401-89-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Biphenyl-4-carboxylic acid [4-(3-methylamino-pyrrolidin-1-yl)-phenyl]-amide
• 英文别名: N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4-phenylbenzamide
• CAS: 863401-89-2
• 化学式: C₂₄H₂₅N₃O
• 分子量: 371.482
• InChiKey: LBHJZTQANJXNGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Biphenyl-4-carboxylic acid [4-(3-methylamino-pyrrolidin-1-yl)-phenyl]-amide 、 乙酸酐 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以85%的产率得到Biphenyl-4-carboxylic acid {4-[3-(acetyl-methyl-amino)-pyrrolidin-1-yl]-phenyl}-amide
  参考文献：
  名称：

  1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists

  摘要：

  Derivatives of 1-(4-amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine were identified as potent and functionally active MCH-R1 antagonists. One compound with K-i = 2.3 nM demonstrated good oral bioavailability (32%) and in vivo efficacy in rats. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.130
• 作为产物：
  描述：

  (1-{4-[(Biphenyl-4-carbonyl)-amino]-phenyl}-pyrrolidin-3-yl)-methyl-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以100%的产率得到Biphenyl-4-carboxylic acid [4-(3-methylamino-pyrrolidin-1-yl)-phenyl]-amide
  参考文献：
  名称：

  1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists

  摘要：

  Derivatives of 1-(4-amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine were identified as potent and functionally active MCH-R1 antagonists. One compound with K-i = 2.3 nM demonstrated good oral bioavailability (32%) and in vivo efficacy in rats. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.130

文献信息

• 1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists
  作者：Charles Q. Huang、Tracy Baker、David Schwarz、Jun Fan、Christopher E. Heise、Mingzhu Zhang、Val S. Goodfellow、Stacy Markison、Kathleen R. Gogas、Takung Chen、Xiao-Chuan Wang、Yun-Fei Zhu

  DOI：10.1016/j.bmcl.2005.05.130

  日期：2005.8

  Derivatives of 1-(4-amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine were identified as potent and functionally active MCH-R1 antagonists. One compound with K-i = 2.3 nM demonstrated good oral bioavailability (32%) and in vivo efficacy in rats. (c) 2005 Elsevier Ltd. All rights reserved.