2,4-Diamino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile | 900466-28-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,4-Diamino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile
• 英文别名: 2,4-diamino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile
• CAS: 900466-28-6
• 化学式: C₉H₁₂N₆
• 分子量: 204.234
• InChiKey: KRMQEEPGJZFQAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 碳酸胍 、 [双(甲硫基)亚甲基]丙烷二腈 以 吡啶 为溶剂， 反应 3.0h， 以85%的产率得到2,4-Diamino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile
  参考文献：
  名称：

  One-Pot Synthesis of 6-Substituted Amino-2,4-diaminopyrimidine Derivatives Using Ketene Dithioacetals with Amines and Guanidine Carbonate

  摘要：

  6-Substituted amino-2,4-diaminopyrimidine derivatives were prepared by one-pot synthesis using ketene dithioacetals, amine compounds, and guanidine carbonate in pyridine. These pyrimidine products displayed blue fluorescence in the solid state.

  DOI：

  10.3987/com-08-11587

文献信息

• PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20150361095A1

  公开（公告）日：2015-12-17

  The present application provides the compounds of formula (J), or pharmaceutically acceptable salts, isomers, or a mixture thereof, wherein n, m, q, A′, W 1 , W 2 , W 3 , R 1 , R 2 , and R 3 are described herein. The compounds are inhibitors to the activities of phosphatidylinositol 3-kinase (PI3K) and are useful for treating conditions mediated by one or more PI3K isoforms. The present application further provides pharmaceutical compositions that include a compound of formula (J), or pharmaceutically acceptable salts, isomers, tautomer, or mixture thereof, and methods of using these compounds and compositions for treating conditions mediated by one or more PI3K isoforms.

  本申请提供了化合物的公式（J），或其药用盐、异构体或其混合物，其中n、m、q、A'、W1、W2、W3、R1、R2和R3如本文所述。这些化合物是磷脂酰肌醇3-激酶（PI3K）活性的抑制剂，可用于治疗由一个或多个PI3K同工型介导的疾病。本申请还提供了包括公式（J）化合物、药用盐、异构体、互变异构体或其混合物的药物组合物，以及使用这些化合物和组合物治疗由一个或多个PI3K同工型介导的疾病的方法。
• One-Pot Synthesis of 6-Substituted Amino-2,4-diaminopyrimidine Derivatives Using Ketene Dithioacetals with Amines and Guanidine Carbonate
  作者：Yoshinori Tominaga、Miki Hirose、Masayori Hagimori、Yasuhiro Shigemitsu、Naoko Mizuyama、Bo-Cheng Wang

  DOI：10.3987/com-08-11587

  日期：——

  6-Substituted amino-2,4-diaminopyrimidine derivatives were prepared by one-pot synthesis using ketene dithioacetals, amine compounds, and guanidine carbonate in pyridine. These pyrimidine products displayed blue fluorescence in the solid state.