(2-methyl-6-oxo-6,7-dihydro-1H-purin-8-ylmercapto)-acetic acid methyl ester | 99179-13-2

• 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-methyl-6-oxo-6,7-dihydro-1H-purin-8-ylmercapto)-acetic acid methyl ester
• 英文别名: (2-Methyl-6-oxo-6,7-dihydro-1H-purin-8-ylmercapto)-essigsaeure-methylester；Methyl 2-[(2-methyl-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]acetate；methyl 2-[(2-methyl-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]acetate
• CAS: 99179-13-2
• 化学式: C₉H₁₀N₄O₃S
• 分子量: 254.269
• InChiKey: OIDYXTCLTCUKBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 2-methyl-8-thioxo-1,7,8,9-tetrahydro-purin-6-one 、 溴乙酸 生成 (2-methyl-6-oxo-6,7-dihydro-1H-purin-8-ylmercapto)-acetic acid methyl ester
  参考文献：
  名称：

  Synthesis of Potential Anti-cancer Agents. II. Purine Antagonists from 2-Methylhypoxanthine-8-thiol¹

  摘要：

  DOI：

  10.1021/jo01092a005

文献信息

• [EN] ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE<br/>[FR] ACTIVATEURS DE LA PYRUVATE KINASE M2 ET PROCÉDÉ DE TRAITEMENT D'UNE MALADIE
  申请人：BETH ISRAEL HOSPITAL

  公开号：WO2009025781A1

  公开（公告）日：2009-02-26

  The invention described herein features methods, compositions, and kits for the use of activators of PKM2 for the treatment, prevention, or amelioration of diseases related to PKM2 function, including, e.g., cancer, diabetes, atherosclerosis, restenosis, obesity, autoimmune disorders, and proliferative disorders.
• Synthesis of Potential Anti-cancer Agents. II. Purine Antagonists from 2-Methylhypoxanthine-8-thiol¹
  作者：ROBERT C. ELDERFIELD、RAJ NANDAN PRASAD

  DOI：10.1021/jo01092a005

  日期：1959.10