1-{[(2S,1R,4R,5R)-4-(6-chloropurin-9-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]methylthio}-2-methylbenzene | 1056617-06-1

• 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-{[(2S,1R,4R,5R)-4-(6-chloropurin-9-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]methylthio}-2-methylbenzene
• 英文别名: 9-[(3aR,4R,6S,6aR)-2,2-dimethyl-6-[(2-methylphenyl)sulfanylmethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-chloropurine
• CAS: 1056617-06-1
• 化学式: C₂₀H₂₁ClN₄O₃S
• 分子量: 432.931
• InChiKey: PDKUGXCPLVSFKF-BMHLXIAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  96.6
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Partial and full agonists of A1 adenosine receptors
  申请人：Elzein Elfatih

  公开号：US20050020532A1

  公开（公告）日：2005-01-27

  Disclosed are novel compounds that are partial and full A 1 adenosine receptor agonists, useful for treating various disease states, in particular tachycardia and atrial flutter, angina, and myocardial infarction.

  公开了新型化合物，它们是部分和全A1腺苷受体激动剂，可用于治疗各种疾病状态，特别是心动过速和心房颤动、心绞痛和心肌梗死。
• ABCA-1 ELEVATING COMPOUNDS AND METHODS
  申请人：Dhalla Arvinder

  公开号：US20090203689A1

  公开（公告）日：2009-08-13

  Disclosed are novel compounds of Formula I useful for treating various disease states, in particular, insulin resistance, diabetes, dyslipidemia, coronary artery disease, and inflammation. The compounds of the present invention elevate cellular expression of the ABCA-1 gene as well as increasing the level of ABCA-1 protein, which may result in an increase in HDL levels in the plasma of a mammal, in particular humans.

  本发明公开了一种公式I的新化合物，用于治疗各种疾病状态，特别是胰岛素抵抗、糖尿病、血脂异常、冠状动脉疾病和炎症。本发明的化合物提高了ABCA-1基因的细胞表达，同时增加了ABCA-1蛋白的水平，这可能导致哺乳动物，特别是人类血浆中HDL水平的增加。
• PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS
  申请人：Dhalla Arvinder

  公开号：US20090247557A1

  公开（公告）日：2009-10-01

  Disclosed are novel compounds a compound of Formula I that are partial and full A 1 adenosine receptor agonists, useful for treating various disease states, in particular dyslipidemia, diabetes, decreased insulin sensitivity, Polycystic Ovarian Syndrome, Stein-Leventhal syndrome, and obesity.

  本发明涉及一种新型化合物，其中化合物I的部分和完全A1腺苷受体激动剂，可用于治疗各种疾病状态，特别是血脂异常、糖尿病、胰岛素敏感性降低、多囊卵巢综合症、斯坦 - 莱文塔尔综合症和肥胖症。
• US6946449B2
  申请人：——

  公开号：US6946449B2

  公开（公告）日：2005-09-20
• US7157440B2
  申请人：——

  公开号：US7157440B2

  公开（公告）日：2007-01-02