hexanoic acid 2-pyridin-4-yl-pyrimidin-4-ylamide | 61310-42-7

• 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: hexanoic acid 2-pyridin-4-yl-pyrimidin-4-ylamide
• 英文别名: N-[2-(4-pyridinyl)-4-pyrimidinyl]hexanamide；N-(2-(Pyridin-4-yl)pyrimidin-4-yl)hexanamide；N-(2-pyridin-4-ylpyrimidin-4-yl)hexanamide
• CAS: 61310-42-7
• 化学式: C₁₅H₁₈N₄O
• 分子量: 270.334
• InChiKey: KMODMELPUBASHE-UHFFFAOYSA-N

物化性质

• 熔点：
  119-120 °C(Solv: isopropanol (67-63-0))
• 沸点：
  418.9±37.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-吡啶基)-4-氨基嘧啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 以100%的产率得到hexanoic acid 2-pyridin-4-yl-pyrimidin-4-ylamide
  参考文献：
  名称：

  Novel orally active inhibitors of passive cutaneous anaphylaxis in rats: N-[2-(4-Pyridinyl)-4-pyrimidinyl] ureas and dialkyl [[[2-(4-pyridinyl)-4-pyrimidinyl]amino]methylene]malonates

  摘要：

  4-Chloro-2-(4-pyridinyl)pyrimidines were treated with alkylamines to afford the corresponding N-substituted amino derivatives. 4-Amino-2-(4-pyridinyl)pyrimidines and their N-substituted analogues were converted to amides, carbamates, aminomethylenemalonates, and ureas. Many of these compounds were found to have potential antiallergic activity as indicated by the rat passive cutaneous anaphylaxis screen. The most compounds were found in the last two series.

  DOI：

  10.1021/jm00349a014

文献信息

• N-[2-(pyridinyl)-4-pyrimidinyl]ureas
  申请人：Sterling Drug Inc.

  公开号：US04008235A1

  公开（公告）日：1977-02-15

  Compounds useful as anti-allergic agents are N-R.sub.3 -N-R.sub.4 -N'-R-N'-(2-Q-5-R.sub.1 -6-R.sub.2 -4-pyrimidinyl)ureas (I), where Q is 4- or 3- or 2-pyridinyl or 4- or 3- or 2-pyridinyl having one or two lower-alkyl substituents or N-oxide thereof, R is hydrogen or lower-alkyl, R.sub.1 is hydrogen, lower-alkyl or cyano, R.sub.2 is hydrogen or lower-alkyl, R.sub.3 is hydrogen, lower-alkyl or lower-hydroxyalkyl, R.sub.4 is hydrogen, lower-alkyl, lower-hydroxyalkyl, lower-alkenyl or lower-cycloalkyl. Said ureas are prepared by reacting 2-Q-4-RNH-5-R.sub.1 -6-R.sub.2 -pyrimidine (II) with a carbamylating agent selected from an R.sub.4 '-isocyanate of the formula R.sub.4 'N=C=O to produce N-R.sub.4 '-N'-R-N'-(2-Q-5-R.sub.1 -6-R.sub.2 -4-pyrimidinyl)urea (IA), an N-R.sub.3 '-N-R.sub.4 '-carbamyl halide of the formula R.sub.3 'R.sub.4 'NC(=O)-halide to produce N-R.sub.3 '-N-R.sub.4 'N'-R-N'-(2-Q-5-R.sub.1 -6-R.sub.2 -4-pyrimidinyl)urea (IB) or 1,1'-carbonyldiimidazole to produce N-(2-Q-5-R.sub.1 -6-R.sub.2 -4-pyrimidinyl)-N-R-imidazole-1-carboxamide and then reacting said 1-carboxamide with R.sub.3 R.sub.4 NH to produce I.

  可用作抗过敏剂的化合物为N-R.sub.3 -N-R.sub.4 -N'-R-N'-(2-Q-5-R.sub.1 -6-R.sub.2 -4-嘧啶基)脲类化合物（I），其中Q为4-或3-或2-吡啶基或带有一个或两个较低烷基取代基或其N-氧化物，R为氢或较低烷基，R.sub.1为氢、较低烷基或氰基，R.sub.2为氢或较低烷基，R.sub.3为氢、较低烷基或较低羟基烷基，R.sub.4为氢、较低烷基、较低羟基烷基、较低烯基或较低环烷基。所述脲类化合物通过将2-Q-4-RNH-5-R.sub.1 -6-R.sub.2 -嘧啶（II）与选择自R.sub.4 'N=C=O的R.sub.4 '-异氰酸酯的羰基化试剂反应制备，以产生N-R.sub.4 '-N'-R-N'-(2-Q-5-R.sub.1 -6-R.sub.2 -4-嘧啶基)脲（IA），R.sub.3 'R.sub.4 'NC(=O)-卤化物的N-R.sub.3 '-N-R.sub.4 '-脲基卤化物以产生N-R.sub.3 '-N-R.sub.4 'N'-R-N'-(2-Q-5-R.sub.1 -6-R.sub.2 -4-嘧啶基)脲（IB）或1,1'-羰基二咪唑以产生N-(2-Q-5-R.sub.1 -6-R.sub.2 -4-嘧啶基)-N-R-咪唑-1-甲酰胺，然后将所述1-甲酰胺与R.sub.3 R.sub.4 NH反应以产生I。
• LESHER, G. Y.;SINGH, B.;MIELENS, Z. E., J. MED. CHEM., 1982, 25, N 7, 837-842
  作者：LESHER, G. Y.、SINGH, B.、MIELENS, Z. E.

  DOI：——

  日期：——
• US4032523A
  申请人：——

  公开号：US4032523A

  公开（公告）日：1977-06-28
• US4008235A
  申请人：——

  公开号：US4008235A

  公开（公告）日：1977-02-15
• US4018770A
  申请人：——

  公开号：US4018770A

  公开（公告）日：1977-04-19