[(Z)-1-aminoethylideneamino] (2S)-2-[[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]butanoate | 885220-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(Z)-1-aminoethylideneamino] (2S)-2-[[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]butanoate
• CAS: 885220-98-4
• 化学式: C₂₂H₂₈N₆O₃
• 分子量: 424.503
• InChiKey: HUAVHZCEUVTATO-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(Z)-1-aminoethylideneamino] (2S)-2-[[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]butanoate 在 吡啶 、 盐酸 作用下， 以 丙酮 为溶剂， 反应 4.0h， 生成 [3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-[(S)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)propyl]amine hydrochloride
  参考文献：
  名称：

  WO2006/44958

  摘要：

  公开号：
• 作为产物：
  描述：

  L-2-氨基丁酸 、 7-chloro-2,5-dimethyl-3-(2-methyl-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 14.0h， 生成 [(Z)-1-aminoethylideneamino] (2S)-2-[[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]butanoate
  参考文献：
  名称：

  WO2006/44958

  摘要：

  公开号：

文献信息

• Pyrazolo[1,5-alpha]pyrimidinyl derivatives useful as corticotropin-releasing factor (CRF) receptor antagonists
  申请人：SmithKline Beecham (Cork) Limited

  公开号：US07879862B2

  公开（公告）日：2011-02-01

  CRF receptor antagonists are disclosed which may have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in mammals. The CRF receptor antagonists of this invention have the following structure: (I); and pharmaceutically acceptable salts, esters, solvates, stereoisomers and prodrugs thereof, wherein R1, R2a, R2b, Y, Het, n, o, R6, Ar and R7 are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明公开了CRF受体拮抗剂，可用于治疗多种疾病，包括治疗哺乳动物CRF分泌过多所表现出的疾病。本发明的CRF受体拮抗剂具有以下结构：（I）；以及其药学上可接受的盐、酯、溶剂合物、立体异构体和前药，其中R1、R2a、R2b、Y、Het、n、o、R6、Ar和R7如本文所定义。本发明还公开了含有CRF受体拮抗剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists
  申请人：Lanier Marion

  公开号：US20080194589A1

  公开（公告）日：2008-08-14

  CRF receptor antagonists are disclosed which may have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in mammals. The CRF receptor antagonists of this invention have the following structure: (I); and pharmaceutically acceptable salts, esters, solvates, stereoisomers and prodrugs thereof, wherein R 1 , R 2a , R 2b , Y, Het, n, o, R 6 , Ar and R 7 are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明揭示了CRF受体拮抗剂，可能在治疗多种疾病方面有用，包括治疗哺乳动物CRF过度分泌引起的疾病。本发明的CRF受体拮抗剂具有以下结构：（I）；以及其药物学上可接受的盐，酯，溶剂合物，立体异构体和前药，其中R1，R2a，R2b，Y，Het，n，o，R6，Ar和R7如本文所定义。还揭示了含有CRF受体拮抗剂与药学可接受载体组合的组合物，以及使用它们的方法。
• Discovery of NBI-77860/GSK561679, a potent corticotropin-releasing factor (CRF1) receptor antagonist with improved pharmacokinetic properties
  作者：John E. Tellew、Marion Lanier、Manisha Moorjani、Emily Lin、Zhiyong Luo、Deborah H. Slee、Xiaohu Zhang、Sam R.J. Hoare、Dimitri E. Grigoriadis、Yves St. Denis、Romano Di Fabio、Enza Di Modugno、John Saunders、John P. Williams

  DOI：10.1016/j.bmcl.2010.10.095

  日期：2010.12

  Antagonists of the corticotropin-releasing factor (CRF) neuropeptide may prove effective in treating stress and anxiety related disorders. In an effort to identify antagonists with improved physico-chemical properties a new series of CRF1 antagonists were designed to substitute the propyl groups at the C7 position of the pyrazolo[1,5-a]pyrimidine core of 1 with heterocycles. Compound (S)-8d was identified as a high affinity ligand with a pK(i) value of 8.2 and a functional CRF1 antagonist with pIC(50) value of 7.0 in the in vitro CRF ACTH production assay. (C) 2010 Elsevier Ltd. All rights reserved.
• Bioorg. Med. Chem. Lett. 2010, 20, 7259-7264
  作者：

  DOI：——

  日期：——
• Pyrazolo [1,5-Alpha] Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists
  申请人：Hossner Frank

  公开号：US20080306092A1

  公开（公告）日：2008-12-11

  The present invention generally relates to the polymorph Form 2 of [3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-[(S)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-propyl]-amine. The present invention also relates to pharmaceutical compositions comprising the same and methods of using the same.