1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one | 6493-02-3

• 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: 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
• 英文别名: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-6-sulfanylidene-7H-purin-2-one
• CAS: 6493-02-3
• 化学式: C₁₆H₁₈N₄OS₂
• 分子量: 346.5
• InChiKey: KGKBAVZYEBZEGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer
  申请人：SHAPIRO David J.

  公开号：US20090291972A1

  公开（公告）日：2009-11-26

  The disclosure herein relates to nuclear hormone receptors including steroid hormone receptors, for example in connection with estrogen, progesterone, and androgen. Embodiments of compositions and methods are disclosed including such relating to compounds, including substituted theophyllines, capable of functioning as inhibitors of estrogen receptor alpha-mediated gene expression and having the ability to modify cancer cells and treat cancer, including breast cancers and resistant breast cancers, particularly those that are resistant to tamoxifen. In embodiments, methods of inhibiting breast cancer cells and resistant breast cancer cells are provided. In embodiments, a useful inhibitor compound includes TPSF/NSC 97998 and other compounds.
• US8871751B2
  申请人：——

  公开号：US8871751B2

  公开（公告）日：2014-10-28