{2-[3-(2,6-dichloro-4-ethyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino]-ethyl}-(tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester | 332179-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {2-[3-(2,6-dichloro-4-ethyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino]-ethyl}-(tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[[3-(2,6-dichloro-4-ethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-N-(oxan-4-yl)carbamate
• CAS: 332179-57-4
• 化学式: C₂₈H₃₇Cl₂N₅O₃
• 分子量: 562.539
• InChiKey: MMYQSNZKYLNJQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  81
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {2-[3-(2,6-dichloro-4-ethyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino]-ethyl}-(tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester 在 乙醇 、 乙醚 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以to afford the title compound (0.15 g, quantitative)的产率得到N-[3-(2,6-dichloro-4-ethyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N'-(tetrahydro-pyran-4-yl)-ethane-1,2-diamine hydrochloride salt
  参考文献：
  名称：

  Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines

  摘要：

  本发明揭示了以下化合物的公式：1其中R1、R2、R3、R4、R5、R6和X在此定义。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗许多中枢神经系统疾病、代谢性疾病和外周疾病，特别是进食障碍和高血压方面非常有用。本发明还提供了治疗这些疾病的方法以及包装的制药组合物。本发明的化合物还可用作NPY1受体定位的探针，以及在NPY1受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。

  公开号：

  US20030069246A1

文献信息

• Certain alkylene diamine-substituted pyrazlo (1,5-a)-1,5-pyrimidines and pyrazolo (1,5-a) 1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US06372743B1

  公开（公告）日：2002-04-16

  Disclosed are compounds of the formula: where R1, R2, R3, R4, R5, R6, and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  揭示了以下化合物的结构：其中R1、R2、R3、R4、R5、R6和X的定义如下。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗多种中枢神经系统疾病、代谢性疾病和外周疾病方面具有用途，尤其是在治疗进食障碍和高血压方面。还提供了治疗此类疾病的方法以及包装的药物组合。发明的化合物还可用作NPY1受体定位的探针和NPY1受体结合测定中的标准。给出了使用这些化合物进行受体定位研究的方法。
• CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES
  申请人：NEUROGEN CORPORATION

  公开号：EP1218379A2

  公开（公告）日：2002-07-03
• US6372743B1
  申请人：——

  公开号：US6372743B1

  公开（公告）日：2002-04-16
• [EN] CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES<br/>[FR] PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES A SUBSTITUTION ALKYLENE-DIAMINE ET PYRAZOLO[1,5-a]-1,3,5-TRIAZINES
  申请人：NEUROGEN CORP

  公开号：WO2001023387A2

  公开（公告）日：2001-04-05

  Disclosed are compounds of formula (I), where R?1, R2, R3, R4, R5, R6¿, and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.
• Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US20030069246A1

  公开（公告）日：2003-04-10

  Disclosed are compounds of the formula: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  本发明揭示了以下化合物的公式：1其中R1、R2、R3、R4、R5、R6和X在此定义。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗许多中枢神经系统疾病、代谢性疾病和外周疾病，特别是进食障碍和高血压方面非常有用。本发明还提供了治疗这些疾病的方法以及包装的制药组合物。本发明的化合物还可用作NPY1受体定位的探针，以及在NPY1受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。