2-amino-6-decylthio-9H-purine-9-acetic acid | 1428376-16-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-amino-6-decylthio-9H-purine-9-acetic acid
• 英文别名: 2-(2-Amino-6-decylsulfanylpurin-9-yl)acetic acid；2-(2-amino-6-decylsulfanylpurin-9-yl)acetic acid
• CAS: 1428376-16-2
• 化学式: C₁₇H₂₇N₅O₂S
• 分子量: 365.5
• InChiKey: BFOBMWHVQUAKLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-amino-6-decylthio-9H-purine-9-acetic acid 、 L-苯丙氨酸乙酯盐酸盐 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以60%的产率得到ethyl (2S)-2-[[2-(2-amino-6-decylsulfanyl-purin-9-yl)acetyl]amino]-3-phenyl-propanoate
  参考文献：
  名称：

  6-Oxo and 6-thio purine analogs as antimycobacterial agents

  摘要：

  6-Oxo and 6-thio analogs of purine were prepared based on the initial activity screening of a small, diverse purine library against Mycobacterium tuberculosis (Mtb). Certain 6-oxo and 6-thio-substituted purine analogs described herein showed moderate to good inhibitory activity. N-9-substitution apparently enhances the anti-mycobacterial activity in the purine series described herein. Several 2-amino and 2-chloro purine analogs were also synthesized that showed moderate inhibitory activity against Mtb. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.054
• 作为产物：
  描述：

  1-癸硫醇 、 2-氨基-6-氯-9H-嘌呤-9-乙酸 在 potassium tert-butylate 作用下， 以 异丙醇 为溶剂， 以64%的产率得到2-amino-6-decylthio-9H-purine-9-acetic acid
  参考文献：
  名称：

  6-Oxo and 6-thio purine analogs as antimycobacterial agents

  摘要：

  6-Oxo and 6-thio analogs of purine were prepared based on the initial activity screening of a small, diverse purine library against Mycobacterium tuberculosis (Mtb). Certain 6-oxo and 6-thio-substituted purine analogs described herein showed moderate to good inhibitory activity. N-9-substitution apparently enhances the anti-mycobacterial activity in the purine series described herein. Several 2-amino and 2-chloro purine analogs were also synthesized that showed moderate inhibitory activity against Mtb. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.054

文献信息

• 6-Oxo and 6-thio purine analogs as antimycobacterial agents
  作者：Ashish K. Pathak、Vibha Pathak、Lainne E. Seitz、William J. Suling、Robert C. Reynolds

  DOI：10.1016/j.bmc.2013.01.054

  日期：2013.4

  6-Oxo and 6-thio analogs of purine were prepared based on the initial activity screening of a small, diverse purine library against Mycobacterium tuberculosis (Mtb). Certain 6-oxo and 6-thio-substituted purine analogs described herein showed moderate to good inhibitory activity. N-9-substitution apparently enhances the anti-mycobacterial activity in the purine series described herein. Several 2-amino and 2-chloro purine analogs were also synthesized that showed moderate inhibitory activity against Mtb. (C) 2013 Elsevier Ltd. All rights reserved.