2-环丙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯 | 1044770-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-环丙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯
• 英文名称: Ethyl 2-cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
• 英文别名: ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate
• CAS: 1044770-39-9
• 化学式: C₁₀H₁₂N₂O₃
• 分子量: 208.217
• InChiKey: DZSPYMMOWYDUES-UHFFFAOYSA-N

物化性质

• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2-环丙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯 在 三氯氧磷 作用下， 生成 4-氯-2-环丙基嘧啶-5-羧酸乙酯
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  环丙烷甲脒盐酸盐 、 乙氧基甲叉丙二酸二乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-环丙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7

文献信息

• AMIDE COMPOUNDS AND USE OF THE SAME
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2202228B1

  公开（公告）日：2014-12-10
• US8329691B2
  申请人：——

  公开号：US8329691B2

  公开（公告）日：2012-12-11
• Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
  作者：Moorthy S.S Palanki、Paul E Erdman、Anthony M Manning、Arnold Ow、Lynn J Ransone、Cheryl Spooner、Carla Suto、Mark Suto

  DOI：10.1016/s0960-894x(00)00312-7

  日期：2000.8

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.