N-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}aminosulfonamide | 1450979-68-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}aminosulfonamide
• 英文别名: 8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]purine；8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]purine
• CAS: 1450979-68-6
• 化学式: C₂₂H₂₁Cl₂N₇O₂S
• 分子量: 518.426
• InChiKey: ASXJFMSIFDRVPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-amine 在 sulfonamide 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以79%的产率得到N-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}aminosulfonamide
  参考文献：
  名称：

  [EN] PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES
  [FR] DÉRIVÉS DE DIPHÉNYLE PURINE RESTREINTS DE MANIÈRE PÉRIPHÉRIQUE

  摘要：

  该发明提供了能够作为大麻素受体拮抗剂的化合物，其化学式如下：这些化合物可用于治疗与大麻素受体系统有关的疾病，如肥胖、肝病、糖尿病、疼痛和炎症。

  公开号：

  WO2013123335A1

文献信息

• PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES
  申请人：RESEARCH TRIANGLE INSTITUTE

  公开号：US20150031689A1

  公开（公告）日：2015-01-29

  The invention provides compounds capable of acting as antagonists at cannabanoid receptors according to the following formula: Such compounds may be used to treat conditions for which the cannabinoid receptor system has been implicated, such as obesity, liver disease, diabetes, pain, and inflammation.

  该发明提供了能够作为大麻素受体拮抗剂的化合物，其化学式如下：这些化合物可用于治疗大麻素受体系统被涉及的疾病，如肥胖症、肝病、糖尿病、疼痛和炎症等。
• Peripherally Selective Diphenyl Purine Antagonist of the CB1 Receptor
  作者：Alan Fulp、Katherine Bortoff、Yanan Zhang、Rodney Snyder、Tim Fennell、Julie A. Marusich、Jenny L. Wiley、Herbert Seltzman、Rangan Maitra

  DOI：10.1021/jm401129n

  日期：2013.10.24

  Antagonists of the CB1 receptor can be useful in the treatment of several important disorders. However, to NN date, the only clinically approved CB1 receptor antagonist, rimonabant, was withdrawn because of adverse central nervous system (CNS)-related side effects. Since rimonabant's withdrawal, several groups are pursuing peripherally selective CB1 antagonists. These compounds are expected to be devoid of undesirable CNS-related effects but maintain efficacy through antagonism of peripherally expressed CB1 receptors. Reported here are our latest results toward the development of a peripherally selective analog of the diphenyl purine CB1 antagonist otenabant 1. Compound 9 (N-148-(2-chlorophenyl)-9-(4chloropheny1)-9H-purin-6-yl]piperidin-4-y1}pentanamide) is a potent, orally absorbed antagonist of the CB1 receptor that is >50-fold selective for CBI over CB2, highly selective for the periphery in a rodent model, and without efficacy in a series of in vivo assays designed to evaluate its ability to mitigate the central effects of Delta(9)-tetrahydrocannabinol through the CB1 receptor.
• US9187480B2
  申请人：——

  公开号：US9187480B2

  公开（公告）日：2015-11-17
• US9458160B2
  申请人：——

  公开号：US9458160B2

  公开（公告）日：2016-10-04
• [EN] PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIPHÉNYLE PURINE RESTREINTS DE MANIÈRE PÉRIPHÉRIQUE
  申请人：RES TRIANGLE INST

  公开号：WO2013123335A1

  公开（公告）日：2013-08-22

  The invention provides compounds capable of acting as antagonists at cannabanoid receptors according to the following formula: Such compounds may be used to treat conditions for which the cannabinoid receptor system has been implicated, such as obesity, liver disease, diabetes, pain, and inflammation.

  该发明提供了能够作为大麻素受体拮抗剂的化合物，其化学式如下：这些化合物可用于治疗与大麻素受体系统有关的疾病，如肥胖、肝病、糖尿病、疼痛和炎症。