2-氯-N-环丙基-6-甲基-4-嘧啶胺 | 1250038-98-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 2-氯-N-环丙基-6-甲基-4-嘧啶胺
• 英文名称: 2-Chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
• CAS: 1250038-98-2
• 化学式: C₈H₁₀ClN₃
• 分子量: 183.64
• InChiKey: UVTADUQYEZQCAM-UHFFFAOYSA-N

物化性质

• 密度：
  1.382

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331

反应信息

• 作为反应物：
  描述：

  2-氯-N-环丙基-6-甲基-4-嘧啶胺 、 4,4'-(1,5-戊二氧基)二苯胺 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以73%的产率得到4-N-cyclopropyl-2-N-[4-[5-[4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]phenoxy]pentoxy]phenyl]-6-methylpyrimidine-2,4-diamine
  参考文献：
  名称：

  A natural product inspired hybrid approach towards the synthesis of novel pentamidine based scaffolds as potential anti-parasitic agents

  摘要：

  A natural product inspired molecular hybridization approach led us to a series of novel pentamidine based pyrimidine and chalcone scaffolds. All the hybrids were evaluated for their anti-leishmanial potential. Most of the screened compounds have showed significant in vitro anti-leishmanial activity with less cytotoxicity in comparison to the standard drugs (pentamidine, sodium stibogluconate, and miltefosine). Additionally, anti-malarial screening of these compounds was also done and four compounds have shown superior activity against chloroquine resistance strain (K1) of Plasmodium falciparum. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.101
• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 、 环丙胺 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-氯-N-环丙基-6-甲基-4-嘧啶胺
  参考文献：
  名称：

  A natural product inspired hybrid approach towards the synthesis of novel pentamidine based scaffolds as potential anti-parasitic agents

  摘要：

  A natural product inspired molecular hybridization approach led us to a series of novel pentamidine based pyrimidine and chalcone scaffolds. All the hybrids were evaluated for their anti-leishmanial potential. Most of the screened compounds have showed significant in vitro anti-leishmanial activity with less cytotoxicity in comparison to the standard drugs (pentamidine, sodium stibogluconate, and miltefosine). Additionally, anti-malarial screening of these compounds was also done and four compounds have shown superior activity against chloroquine resistance strain (K1) of Plasmodium falciparum. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.101

文献信息

• A natural product inspired hybrid approach towards the synthesis of novel pentamidine based scaffolds as potential anti-parasitic agents
  作者：Vikas Tyagi、Shahnawaz Khan、Rahul Shivahare、Khushboo Srivastava、Suman Gupta、Saqib Kidwai、Kumkum Srivastava、S.K. Puri、Prem M.S. Chauhan

  DOI：10.1016/j.bmcl.2012.10.101

  日期：2013.1

  A natural product inspired molecular hybridization approach led us to a series of novel pentamidine based pyrimidine and chalcone scaffolds. All the hybrids were evaluated for their anti-leishmanial potential. Most of the screened compounds have showed significant in vitro anti-leishmanial activity with less cytotoxicity in comparison to the standard drugs (pentamidine, sodium stibogluconate, and miltefosine). Additionally, anti-malarial screening of these compounds was also done and four compounds have shown superior activity against chloroquine resistance strain (K1) of Plasmodium falciparum. (c) 2012 Elsevier Ltd. All rights reserved.