7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(isopropylamino)pyrido[2,3-d]pyrimidine-2-carboxamide | 1160912-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(isopropylamino)pyrido[2,3-d]pyrimidine-2-carboxamide
• 英文别名: 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide
• CAS: 1160912-85-5
• 化学式: C₂₇H₂₇Cl₂N₅O
• 分子量: 508.45
• InChiKey: OXXZOOQIIFAICN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-(2-chlorophenyl)-6-(4-chlorophenyl)-4-(isopropylamino)pyrido[2,3-d]pyrimidine-2-carboxylic acid 、 二乙胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以22%的产率得到7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(isopropylamino)pyrido[2,3-d]pyrimidine-2-carboxamide
  参考文献：
  名称：

  Pyridopyrimidine based cannabinoid-1 receptor inverse agonists: Synthesis and biological evaluation

  摘要：

  The synthesis, SAR and binding affinities are described for cannabinoid-1 receptor (CB1R) specific inverse agonists based on pyridopyrimidine and heterotricyclic scaffolds. Food intake and pharmacokinetic evaluation of several of these compounds indicate that they are effective orally active modulators of CB1R. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.005

文献信息

• Pyridopyrimidine based cannabinoid-1 receptor inverse agonists: Synthesis and biological evaluation
  作者：John S. Debenham、Christina B. Madsen-Duggan、Junying Wang、Xinchun Tong、Julie Lao、Tung M. Fong、Marie-Therese Schaeffer、Jing Chen Xiao、Cathy C.R.-R. Huang、Chun-Pyn Shen、D. Sloan Stribling、Lauren P. Shearman、Alison M. Strack、D. Euan MacIntyre、Jeffrey J. Hale、Thomas F. Walsh

  DOI：10.1016/j.bmcl.2009.03.005

  日期：2009.5

  The synthesis, SAR and binding affinities are described for cannabinoid-1 receptor (CB1R) specific inverse agonists based on pyridopyrimidine and heterotricyclic scaffolds. Food intake and pharmacokinetic evaluation of several of these compounds indicate that they are effective orally active modulators of CB1R. (C) 2009 Elsevier Ltd. All rights reserved.