butyl-[2,5-dimethyl-3-(2,4,6-trimethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-7-yl]-ethyl-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: butyl-[2,5-dimethyl-3-(2,4,6-trimethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-7-yl]-ethyl-amine
• 英文别名: N-butyl-N-ethyl-2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• 化学式: C₂₃H₃₂N₄
• 分子量: 364.534
• InChiKey: SVXKVGFOGQUOGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  33.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-均三甲苯基-5-甲基-1H-吡唑-3-胺 在 对甲苯磺酸 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 生成 butyl-[2,5-dimethyl-3-(2,4,6-trimethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-7-yl]-ethyl-amine
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidine CRF-1 receptor antagonists

  摘要：

  A series of 3-phenylpyrazolo[1,5-a]pyrimidines was prepared and found to have affinity for the human CRF-1 receptor. The 3-dimensional structure of one of the most potent analogs in this series, 10d, was determined by X-ray crystallography and suggests the spatial requirements for potent CRF-1 receptor binding affinity in this series. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00372-2

文献信息

• SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES
  申请人：——

  公开号：US20010007867A1

  公开（公告）日：2001-07-12

  This invention relates to compounds of the formula 1 wherein A, B, D, E K, I, G, R 3 and R 5 are defined as in the specification, and to the pharmaceutically acceptable salts of such compounds.

  这项发明涉及公式1中的化合物，其中A、B、D、E、K、I、G、R3和R5的定义如规范中所述，并涉及这些化合物的药用可接受盐。
• Substituted 6,5-hetero-bicyclic derivatives
  申请人：Chen L. Yuhpyng

  公开号：US20050009823A1

  公开（公告）日：2005-01-13

  This invention relates to compounds of the formula wherein A, B, D, E, K, T, G, R 3 and R 5 are defined as in the specification, and to the pharmaceutically acceptable salts of such compounds.

  本发明涉及公式中的化合物，其中A、B、D、E、K、T、G、R3和R5的定义如规范中所述，并且涉及这些化合物的药学上可接受的盐。
• US6900217B2
  申请人：——

  公开号：US6900217B2

  公开（公告）日：2005-05-31
• Pyrazolo[1,5-a]pyrimidine CRF-1 receptor antagonists
  作者：David J. Wustrow、Thomas Capiris、Ronald Rubin、James A. Knobelsdorf、Hyacinth Akunne、M.Duff Davis、Robert MacKenzie、Thomas A. Pugsley、Kim T. Zoski、Thomas G. Heffner、Lawrence D. Wise

  DOI：10.1016/s0960-894x(98)00372-2

  日期：1998.8

  A series of 3-phenylpyrazolo[1,5-a]pyrimidines was prepared and found to have affinity for the human CRF-1 receptor. The 3-dimensional structure of one of the most potent analogs in this series, 10d, was determined by X-ray crystallography and suggests the spatial requirements for potent CRF-1 receptor binding affinity in this series. (C) 1998 Elsevier Science Ltd. All rights reserved.