N4'-(1-methylpiperidin-4-yl)-6',7'-dihydro-5'H-spiro[cyclopentane-1,8'-quinazoline]-2',4'-diamine | 1227057-03-5

• 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: N4'-(1-methylpiperidin-4-yl)-6',7'-dihydro-5'H-spiro[cyclopentane-1,8'-quinazoline]-2',4'-diamine
• 英文别名: 4-N-(1-methylpiperidin-4-yl)spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
• CAS: 1227057-03-5
• 化学式: C₁₈H₂₉N₅
• 分子量: 315.462
• InChiKey: YVGDGPQLBMVCCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  67.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氨基-1-甲基哌啶 、 2'-amino-6',7'-dihydro-5'H-spiro[cyclopentane-1,8'-quinazoline]-4'-yl 4-methylbenzenesulfonate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 N4'-(1-methylpiperidin-4-yl)-6',7'-dihydro-5'H-spiro[cyclopentane-1,8'-quinazoline]-2',4'-diamine
  参考文献：
  名称：

  Rigidified 2-aminopyrimidines as histamine H4 receptor antagonists: Effects of substitution about the rigidifying ring

  摘要：

  Three novel series of histamine H-4 receptor (H4R) antagonists containing the 2-aminopyrimidine motif are reported. The best of these compounds display good in vitro potency in both functional and binding assays. In addition, representative compounds are able to completely block itch responses when dosed ip in a mouse model of H-4-agonist induced scratching, thus demonstrating their activities as H4R antagonists. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.131

文献信息

• Macrocyclic Spiro Pyrimidine Derivatives
  申请人：Liu Huaqing

  公开号：US20090233904A1

  公开（公告）日：2009-09-17

  Macrocyclic spiro pyrimidine compounds, compositions comprising such compounds, methods for making the compounds, and methods of treating and preventing the progression of diseases, conditions, and disorders using such compounds and compositions are described herein.

  本文描述了大环螺环嘧啶化合物、包含这种化合物的组合物、制备这些化合物的方法，以及利用这种化合物和组合物治疗和预防疾病、病况和障碍的方法。
• US8278313B2
  申请人：——

  公开号：US8278313B2

  公开（公告）日：2012-10-02
• Rigidified 2-aminopyrimidines as histamine H4 receptor antagonists: Effects of substitution about the rigidifying ring
  作者：John R. Koenig、Huaqing Liu、Irene Drizin、David G. Witte、Tracy L. Carr、Arlene M. Manelli、Ivan Milicic、Marina I. Strakhova、Thomas R. Miller、Timothy A. Esbenshade、Jorge D. Brioni、Marlon Cowart

  DOI：10.1016/j.bmcl.2010.01.131

  日期：2010.3

  Three novel series of histamine H-4 receptor (H4R) antagonists containing the 2-aminopyrimidine motif are reported. The best of these compounds display good in vitro potency in both functional and binding assays. In addition, representative compounds are able to completely block itch responses when dosed ip in a mouse model of H-4-agonist induced scratching, thus demonstrating their activities as H4R antagonists. (C) 2010 Elsevier Ltd. All rights reserved.