2-(cyclopentylthio)pyrimidine-4,5,6-triamine | 1099593-15-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(cyclopentylthio)pyrimidine-4,5,6-triamine
• 英文别名: 2-Cyclopentylsulfanylpyrimidine-4,5,6-triamine；2-cyclopentylsulfanylpyrimidine-4,5,6-triamine
• CAS: 1099593-15-3
• 化学式: C₉H₁₅N₅S
• 分子量: 225.318
• InChiKey: BMJWTXNEGXVBJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(cyclopentylthio)pyrimidine-4,5,6-triamine 、 草酰氯单乙酯 以 N-甲基吡咯烷酮 为溶剂， 生成 4-amino-2-(cyclopentylthio)-5,8-dihydropteridine-6,7-dione
  参考文献：
  名称：

  Exploring 8-benzyl pteridine-6,7-diones as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria

  摘要：

  A successful scaffold-hopping approach gave a novel series of inhibitors of bacterial glutamate racemase (MurI). Early SAR studies of the 8-benzyl pteridine-6,7-diones led to compounds with micromolar enzyme potency and antibacterial activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.022
• 作为产物：
  描述：

  在 platinum(IV) oxide 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-(cyclopentylthio)pyrimidine-4,5,6-triamine
  参考文献：
  名称：

  Exploring 8-benzyl pteridine-6,7-diones as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria

  摘要：

  A successful scaffold-hopping approach gave a novel series of inhibitors of bacterial glutamate racemase (MurI). Early SAR studies of the 8-benzyl pteridine-6,7-diones led to compounds with micromolar enzyme potency and antibacterial activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.022

文献信息

• Exploring 8-benzyl pteridine-6,7-diones as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria
  作者：Gloria A. Breault、Janelle Comita-Prevoir、Charles J. Eyermann、Bolin Geng、Randy Petrichko、Peter Doig、Elise Gorseth、Brian Noonan

  DOI：10.1016/j.bmcl.2008.10.022

  日期：2008.12

  A successful scaffold-hopping approach gave a novel series of inhibitors of bacterial glutamate racemase (MurI). Early SAR studies of the 8-benzyl pteridine-6,7-diones led to compounds with micromolar enzyme potency and antibacterial activity. (C) 2008 Elsevier Ltd. All rights reserved.