Methyl 3,3-diethyl-2-oxocycloheptanecarboxylate | 1190305-81-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 3,3-diethyl-2-oxocycloheptanecarboxylate
• 英文别名: Methyl 3,3-diethyl-2-oxocycloheptane-1-carboxylate
• CAS: 1190305-81-7
• 化学式: C₁₃H₂₂O₃
• 分子量: 226.316
• InChiKey: DLVFJIRVLWJLSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3,3-diethyl-2-oxocycloheptanecarboxylate 、 胍 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-amino-9,9-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ol
  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
• 作为产物：
  描述：

  1.1-Diaethyl-cycloheptanon-(2) 、 碳酸二甲酯 在 sodium hydride 作用下， 反应 2.0h， 生成 Methyl 3,3-diethyl-2-oxocycloheptanecarboxylate
  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 PYRIMIDINE DERIVATIVES
  申请人：Liu Huaqing

  公开号：US20090253678A1

  公开（公告）日：2009-10-08

  Macrocyclic 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.

  本文描述了大环嘧啶化合物、包含此类化合物的组合物、制备此类化合物的方法以及使用此类化合物和组合物治疗和预防疾病、病症和障碍的方法。
• US8436005B2
  申请人：——

  公开号：US8436005B2

  公开（公告）日：2013-05-07