(3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid | 106199-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid
• CAS: 106199-12-6
• 化学式: C₁₄H₁₇N₅O₄
• 分子量: 319.32
• InChiKey: JGCOWTFLPHCPHN-WDQPUEAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (-)-aristeromycin acetonide 在 potassium permanganate 作用下， 生成 (3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid
  参考文献：
  名称：

  AdoHcy hydrolase of Trichomonas vaginalis: Studies of the effects of 5′-modified adenosine analogues and related 6-N-cyclopropyl derivatives

  摘要：

  Trypanosoma brucei and Trichomonas vaginalis are both parasitic protozoans that are known to share many similar biochemical pathways. Aristeromycin, as well as 5 '-iodovinyl and 5 '-oxime analogues of adenosine, are potent inhibitors of AdoHcy hydrolase in T. brucei, an enzyme that catalyses the hydrolysis of AdoHcy to adenosine and L-homocysteine. To help determine the role of this enzyme in T. vaginalis, we have tested a library of 5 '-modified adenosine derivatives, including 5 '-deoxy-5 '-( iodomethylene)-adenosine and related 6-N-cyclopropyl analogues. Our results indicate that these inhibitors are effective at inhibiting the growth of T. vaginalis, by as much as 95%. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.014

文献信息

• UBA5 INHIBITORS
  申请人：THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO

  公开号：US20170107247A1

  公开（公告）日：2017-04-20

  The present disclosure relates to compounds of the Formula (I), which are UBA5 inhibitors.