4-(2,4-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide | 404569-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(2,4-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide
• 英文别名: 4-(2,4-dimethylphenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
• CAS: 404569-12-6
• 化学式: C₂₄H₂₇N₃OS
• 分子量: 405.564
• InChiKey: JTOZMCVYWTXMNH-UHFFFAOYSA-N

物化性质

• 沸点：
  575.8±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2,4-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide 以23%的产率得到4-(2,4-dimethylphenyl)-6-methyl-2-(methylsulfinyl)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide
  参考文献：
  名称：

  Pyrimidine derivatives and new pyridine derivatives

  摘要：

  Achirai嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。

  公开号：

  US20040009991A1
• 作为产物：
  描述：

  2-acetyl-3-(2,4-dimethylphenyl)-N-(3-phenylpropyl) acrylamide 、 S-甲基异硫脲硫酸盐 在 sodium acetate 作用下， 以49%的产率得到4-(2,4-dimethylphenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide
  参考文献：
  名称：

  Pyrimidine derivatives and new pyridine derivatives

  摘要：

  Achirai嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。

  公开号：

  US20040009991A1

文献信息

• NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1318147A1

  公开（公告）日：2003-06-11

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  非手性嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并且当口服时表现出镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。
• NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES
  申请人：OHNO Seiji

  公开号：US20080070903A1

  公开（公告）日：2008-03-20

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  以下式子或其类似物的非手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并且口服时表现出镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。
• Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders
  申请人：Fraser Oliver Matthew

  公开号：US20070066597A1

  公开（公告）日：2007-03-22

  The invention relates to methods of using Cav2.2 subunit calcium channel modulators, particularly thiazolidinone, oxazolidinone, and imidazolone derivatives, to treat lower urinary tract and related disorders.
• Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators
  申请人：Fraser Oliver Matthew

  公开号：US20070105785A1

  公开（公告）日：2007-05-10

  A method is provided for using Cav2.2 subunit calcium channel modulators to treat non-inflammatory gastrointestinal tract disorders.
• US7223754B2
  申请人：——

  公开号：US7223754B2

  公开（公告）日：2007-05-29