2-(9-phenyl-9H-purine-6-carboxamido)acetic acid | 1078168-07-6

• 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-(9-phenyl-9H-purine-6-carboxamido)acetic acid
• 英文别名: 2-[(9-phenylpurine-6-carbonyl)amino]acetic acid
• CAS: 1078168-07-6
• 化学式: C₁₄H₁₁N₅O₃
• 分子量: 297.273
• InChiKey: IAGSPPOEOWKYJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl (9-phenyl-9H-purine-6-carbonyl)glycinate 在 三氟乙酸 作用下， 以51%的产率得到2-(9-phenyl-9H-purine-6-carboxamido)acetic acid
  参考文献：
  名称：

  Structure-guided design of substituted aza-benzimidazoles as potent hypoxia inducible factor-1α prolyl hydroxylase-2 inhibitors

  摘要：

  We report the structure-based design and synthesis of a novel series of aza-benzimidazoles as PHD2 inhibitors. These efforts resulted in compound 22, which displayed highly potent inhibition of PHD2 function in vitro. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.012

文献信息

• Structure-guided design of substituted aza-benzimidazoles as potent hypoxia inducible factor-1α prolyl hydroxylase-2 inhibitors
  作者：Mike Frohn、Vellarkad Viswanadhan、Alexander J. Pickrell、Jennifer E. Golden、Kristine M. Muller、Roland W. Bürli、Gloria Biddlecome、Sean C. Yoder、Norma Rogers、Jennifer H. Dao、Randall Hungate、Jennifer R. Allen

  DOI：10.1016/j.bmcl.2008.08.012

  日期：2008.9

  We report the structure-based design and synthesis of a novel series of aza-benzimidazoles as PHD2 inhibitors. These efforts resulted in compound 22, which displayed highly potent inhibition of PHD2 function in vitro. (C) 2008 Elsevier Ltd. All rights reserved.