7-chloro-3-{3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-4(3H)-quinazolinone | 515141-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-chloro-3-{3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-4(3H)-quinazolinone
• 英文别名: 7-chloro-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-4-one
• CAS: 515141-81-8
• 化学式: C₂₁H₂₂ClN₃O₃
• 分子量: 399.877
• InChiKey: IKDHIARCZPTXAS-UHFFFAOYSA-N

物化性质

• 沸点：
  581.4±60.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-chloro-3-{3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-4(3H)-quinazolinone 、 4-氯苯硼酸 在 sodium carbonate palladium diacetate 、 potassium fluoride 、 2-(二叔丁基膦)联苯 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以60%的产率得到7-(4-Chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-4-one
  参考文献：
  名称：

  The discovery and optimization of pyrimidinone-containing MCH R1 antagonists

  摘要：

  Optimization of a series of constrained melanin-concentrating hormone receptor 1 (MCH RI) antagonists has provided compounds with potent and selective MCH R1 activity. Details of the optimization process are provided and the use of one of the compounds in an animal model of diet-induced obesity is presented. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.008
• 作为产物：
  描述：

  4-chloro-N-{3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-2-nitrobenzamide 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 7-chloro-3-{3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-4(3H)-quinazolinone
  参考文献：
  名称：

  The discovery and optimization of pyrimidinone-containing MCH R1 antagonists

  摘要：

  Optimization of a series of constrained melanin-concentrating hormone receptor 1 (MCH RI) antagonists has provided compounds with potent and selective MCH R1 activity. Details of the optimization process are provided and the use of one of the compounds in an animal model of diet-induced obesity is presented. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.008

文献信息

• [EN] PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1<br/>[FR] PYRIMIDINONES EN TANT QUE RECEPTEUR 1 DE L'HORMONE DE CONCENTRATION DE LA MELANINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2003033476A1

  公开（公告）日：2003-04-24

  A compound of formula (Ia) comprising a pharmaceutically acceptable salt or solvate thereof, formulations, processes of preparing, and methods of administering to mammals are provided

  本发明提供了化合物(Ia)的配方，包括其药物可接受的盐或溶剂，制备过程和哺乳动物的给药方法。
• Pyrimidinones as melanin concentrating hormone receptor 1
  申请人：——

  公开号：US20040220404A1

  公开（公告）日：2004-11-04

  A compound of formula (Ia) comprising a pharmaceutically acceptable salt or solvate thereof, formulations, processes of preparing, and methods of administering to mammals are provided 1

  提供了一种化合物(Ia)的配方，包括其药用可接受的盐或溶剂，制备过程以及对哺乳动物的给药方法。
• PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1442025B1

  公开（公告）日：2007-03-07
• US7285557B2
  申请人：——

  公开号：US7285557B2

  公开（公告）日：2007-10-23
• The discovery and optimization of pyrimidinone-containing MCH R1 antagonists
  作者：Donald L. Hertzog、Kamal A. Al-Barazanji、Eric C. Bigham、Michael J. Bishop、Christy S. Britt、David L. Carlton、Joel P. Cooper、Alex J. Daniels、Dulce M. Garrido、Aaron S. Goetz、Mary K. Grizzle、Yu C. Guo、Anthony L. Handlon、Diane M. Ignar、Ronda O. Morgan、Andrew J. Peat、Francis X. Tavares、Huiqiang Zhou

  DOI：10.1016/j.bmcl.2006.07.008

  日期：2006.9

  Optimization of a series of constrained melanin-concentrating hormone receptor 1 (MCH RI) antagonists has provided compounds with potent and selective MCH R1 activity. Details of the optimization process are provided and the use of one of the compounds in an animal model of diet-induced obesity is presented. (c) 2006 Elsevier Ltd. All rights reserved.