2-(2-((tert-butoxycarbonyl)(4-cyclohexylbenzyl)amino)-6-(propylamino)-9H-purin-9-yl)acetic acid | 1255653-24-7

• 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: 2-(2-((tert-butoxycarbonyl)(4-cyclohexylbenzyl)amino)-6-(propylamino)-9H-purin-9-yl)acetic acid
• 英文别名: S3I-V2-54；2-(2-((4-cyclohexylbenzyl)amino)-6-(propylamino)-9H-purin-9-yl)acetic acid；2-[2-[(4-cyclohexylphenyl)methylamino]-6-(propylamino)purin-9-yl]acetic acid
• CAS: 1255653-24-7
• 化学式: C₂₃H₃₀N₆O₂
• 分子量: 422.53
• InChiKey: ROKYJXWOEIUZJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] SUBSTITUTED 2-(9H-PURIN-9-YL) ACETIC ACID ANALOGUES AS INHIBITORS OF STAT3<br/>[FR] ANALOGUES D'ACIDE 2-(9H-PURIN-9-YL)ACÉTIQUE SUBSTITUÉS EN TANT QU'INHIBITEURS DE STAT3
  申请人：UNIV CENTRAL FLORIDA RES FOUND

  公开号：WO2011163424A2

  公开（公告）日：2011-12-29

  In one aspect, the invention relates to substituted purine analogs, derivatives thereof, and related compounds, which are useful as inhibitors of STAT protein activity; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders of uncontrolled cellular proliferation associated with a STAT protein activity dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.