6-[(2-chlorophenyl)thio]purine | 646510-10-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-[(2-chlorophenyl)thio]purine
• 英文别名: 6-(2-chlorophenyl)sulfanyl-7H-purine
• CAS: 646510-10-3
• 化学式: C₁₁H₇ClN₄S
• 分子量: 262.722
• InChiKey: FGOSRPMQOHPJIR-UHFFFAOYSA-N

物化性质

• 熔点：
  198 °C
• 沸点：
  506.1±40.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻氯苯硫酚 、 6-氯嘌呤 在 potassium tert-butylate 作用下， 以 异丙醇 为溶剂， 以85%的产率得到6-[(2-chlorophenyl)thio]purine
  参考文献：
  名称：

  Antimycobacterial Agents. 1. Thio Analogues of Purine

  摘要：

  Thio analogues of purine, pyridine, and pyrimidine were prepared based on the initial activity screening of several analogues of these heterocycles against Mycobacterium tuberculosis (Mtb). Certain 6-thio-substituted purine analogues described herein showed moderate to good inhibitory activity. In particular, two purine analogues 9-(ethylcarboxymethyl)-6-(decylthio)9H-purine (20) and 9-(ethylcarboxymethyl)-6-(dodecylthio)-9H-purine (21) exhibited MIC values of 1.56 and 0.78 mug/mL respectively against the Mtb H(37)Rv strain. N-9-Substitution apparently enhances the antimycobacterial activity in the purine series described herein.

  DOI：

  10.1021/jm030389b

文献信息

• Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases
  申请人：Mehta A. Shamal

  公开号：US20050239806A1

  公开（公告）日：2005-10-27

  Described herein are compounds and compositions for modulating kinase activity, and methods for modulating kinase activity using the compounds and compositions. Also described herein are methods of using the compounds and/or compositions in the treatment and prevention of a variety of diseases and unwanted conditions in subjects.

  本文描述了用于调节激酶活性的化合物和组合物，以及使用这些化合物和组合物调节激酶活性的方法。本文还描述了使用这些化合物和/或组合物治疗和预防受试者的各种疾病和不良状况的方法。
• Antimycobacterial Agents. 1. Thio Analogues of Purine
  作者：Ashish K. Pathak、Vibha Pathak、Lainne E. Seitz、William J. Suling、Robert C. Reynolds

  DOI：10.1021/jm030389b

  日期：2004.1.1

  Thio analogues of purine, pyridine, and pyrimidine were prepared based on the initial activity screening of several analogues of these heterocycles against Mycobacterium tuberculosis (Mtb). Certain 6-thio-substituted purine analogues described herein showed moderate to good inhibitory activity. In particular, two purine analogues 9-(ethylcarboxymethyl)-6-(decylthio)9H-purine (20) and 9-(ethylcarboxymethyl)-6-(dodecylthio)-9H-purine (21) exhibited MIC values of 1.56 and 0.78 mug/mL respectively against the Mtb H(37)Rv strain. N-9-Substitution apparently enhances the antimycobacterial activity in the purine series described herein.