4-氯-5-甲氧基-2-(4-吡啶)嘧啶 | 133661-38-8

• 物质功能分类: 有机原料 - 杂环化合物
• 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: 4-氯-5-甲氧基-2-(4-吡啶)嘧啶
• 中文别名: 4-氯-5-甲氧基-2-(吡啶-4-基)嘧啶
• 英文名称: 4-chloro-5-methoxy-2-(4-pyridinyl)pyrimidine
• 英文别名: 4-Chloro-5-methoxy-2-(pyridin-4-yl)pyrimidine；4-chloro-5-methoxy-2-pyridin-4-ylpyrimidine
• CAS: 133661-38-8
• 化学式: C₁₀H₈ClN₃O
• 分子量: 221.646
• InChiKey: TVYLSRDFWJSOQA-UHFFFAOYSA-N

物化性质

• 熔点：
  130-132°

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-氯-5-甲氧基-2-(4-吡啶)嘧啶 在 氨 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以65%的产率得到5-methoxy-2-(4-pyridinyl)-4-pyrimidinamine
  参考文献：
  名称：

  Synthesis of Aza Analogs of Amrinone

  摘要：

  The aldol condensation product (4) of 4-acetylpyridine (2) and diethyl mesoxalate (3) was converted to pyridazinecarboxylic acid hydrazide (6). Curtius reaction of 6 gave aminopyridazinone (7). The condensation of (4-pyridinyl)glyoxal (17) with aminomalonamide (9) yielded pyrazinecarboxamide (18) which was transformed to aminopyrazinone (19) by the Hofmann reaction. Curtius reaction of 1,2,4-triazinone-5-carboxylic acid (21b) gave aminotriazinone (22). Demethylation of methoxypyrimidine (29) prepared from methyl 2-methoxyformylacetate (25) and isonicotinamidine (26) gave pyrimidinol (30).

  DOI：

  10.3987/com-90-5562
• 作为产物：
  描述：

  4-amidinopyridine hydrochloride 在 sodium hydride 、 三氯氧磷 作用下， 反应 28.5h， 生成 4-氯-5-甲氧基-2-(4-吡啶)嘧啶
  参考文献：
  名称：

  Synthesis of Aza Analogs of Amrinone

  摘要：

  The aldol condensation product (4) of 4-acetylpyridine (2) and diethyl mesoxalate (3) was converted to pyridazinecarboxylic acid hydrazide (6). Curtius reaction of 6 gave aminopyridazinone (7). The condensation of (4-pyridinyl)glyoxal (17) with aminomalonamide (9) yielded pyrazinecarboxamide (18) which was transformed to aminopyrazinone (19) by the Hofmann reaction. Curtius reaction of 1,2,4-triazinone-5-carboxylic acid (21b) gave aminotriazinone (22). Demethylation of methoxypyrimidine (29) prepared from methyl 2-methoxyformylacetate (25) and isonicotinamidine (26) gave pyrimidinol (30).

  DOI：

  10.3987/com-90-5562

文献信息

• Heterocyclic compound and pharmaceutical composition comprising same
  申请人：BEYONDBIO INC.

  公开号：US10227328B2

  公开（公告）日：2019-03-12

  The present invention relates to a novel heterocyclic compound inhibiting a cyclin-dependent kinase (CDK) and a pharmaceutical composition comprising the same as an effective ingredient. The heterocyclic compound according to the present invention or pharmaceutically acceptable salt thereof can be effectively used in treating or preventing cancers, degenerative brain diseases, etc.

  本发明涉及一种抑制细胞周期蛋白依赖性激酶（CDK）的新型杂环化合物，以及以其为有效成分的药物组合物。根据本发明的杂环化合物或其药学上可接受的盐可有效地用于治疗或预防癌症、退行性脑疾病等。
• SINGH, BALVED;LESHER, GEOGRE Y., HETEROCYCLES, 31,(1990) N2, C. 2163-2172
  作者：SINGH, BALVED、LESHER, GEOGRE Y.

  DOI：——

  日期：——
• HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：BEYONDBIO INC.

  公开号：US20190135786A1

  公开（公告）日：2019-05-09

  The present invention relates to a novel heterocyclic compound inhibiting a cyclin-dependent kinase (CDK) and a pharmaceutical composition comprising the same as an effective ingredient. The heterocyclic compound according to the present invention or pharmaceutically acceptable salt thereof can be effectively used in treating or preventing cancers, degenerative brain diseases, etc.
• Synthesis of Aza Analogs of Amrinone
  作者：Baldev Singh、George Y. Lesher

  DOI：10.3987/com-90-5562

  日期：——

  The aldol condensation product (4) of 4-acetylpyridine (2) and diethyl mesoxalate (3) was converted to pyridazinecarboxylic acid hydrazide (6). Curtius reaction of 6 gave aminopyridazinone (7). The condensation of (4-pyridinyl)glyoxal (17) with aminomalonamide (9) yielded pyrazinecarboxamide (18) which was transformed to aminopyrazinone (19) by the Hofmann reaction. Curtius reaction of 1,2,4-triazinone-5-carboxylic acid (21b) gave aminotriazinone (22). Demethylation of methoxypyrimidine (29) prepared from methyl 2-methoxyformylacetate (25) and isonicotinamidine (26) gave pyrimidinol (30).