(5-amino-1-phenylpyrazol-4-yl)-N-(4-chlorophenyl) carboxamide | 117544-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5-amino-1-phenylpyrazol-4-yl)-N-(4-chlorophenyl) carboxamide
• 英文别名: N-(4-Chlorophenyl)-1-phenyl-5-amino-1H-pyrazole-4-carboxamide；5-amino-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
• CAS: 117544-97-5
• 化学式: C₁₆H₁₃ClN₄O
• 分子量: 312.758
• InChiKey: NJVCXQCITAPQJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氯吡啶-3-羰酰氯 、 (5-amino-1-phenylpyrazol-4-yl)-N-(4-chlorophenyl) carboxamide 在 吡啶 作用下， 反应 5.0h， 以74%的产率得到6-(6-chloro-3-pyridyl)-4-[(4-chlorophenyl)azamethylene]-1-phenylpyrazolo[5,4-d]1,3-oxazine
  参考文献：
  名称：

  Synthesis and characterization of a novel heterocycle: 1‐Substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐ d ]‐1,3‐oxazine

  摘要：

  Abstractmagnified imageA series of novel heterocycles 1‐aryl‐ or alkyl‐substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐d]‐1,3‐oxazines were synthesized from the acylation of (5‐amino‐1‐substituted‐pyrazol‐4‐yl)‐N‐carboxamide in 63‐89% isolated yields at room temperature within 12 hours. The structure was confirmed by X‐ray crystal analysis.

  DOI：

  10.1002/jhet.5570450211
• 作为产物：
  描述：

  5-氨基-4-乙氧羰基-1-苯基吡唑 、 对氯苯胺 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.75h， 以93%的产率得到(5-amino-1-phenylpyrazol-4-yl)-N-(4-chlorophenyl) carboxamide
  参考文献：
  名称：

  Synthesis and characterization of a novel heterocycle: 1‐Substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐ d ]‐1,3‐oxazine

  摘要：

  Abstractmagnified imageA series of novel heterocycles 1‐aryl‐ or alkyl‐substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐d]‐1,3‐oxazines were synthesized from the acylation of (5‐amino‐1‐substituted‐pyrazol‐4‐yl)‐N‐carboxamide in 63‐89% isolated yields at room temperature within 12 hours. The structure was confirmed by X‐ray crystal analysis.

  DOI：

  10.1002/jhet.5570450211

文献信息

• COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY
  申请人：Liu Hong

  公开号：US20090247517A1

  公开（公告）日：2009-10-01

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of Cannabinoid Receptor 1 (CB1).

  本发明提供了化合物、包含这些化合物的制药组合物以及使用这些化合物治疗或预防与大麻素受体1（CB1）的活性有关的疾病或紊乱的方法。
• Compounds and compositions as inhibitors of cannabinoid receptor 1 activity
  申请人：IRM LLC

  公开号：US08158634B2

  公开（公告）日：2012-04-17

  The invention provides compounds having Formula Ia, or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4 and Y are as defined in the specification; as well as pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of Cannabinoid Receptor 1 (CB1).

  本发明提供具有Ia式的化合物或其药学上可接受的盐，其中R1、R2、R3、R4和Y如规范中所定义；以及包含这些化合物的制药组合物和使用这些化合物治疗或预防与大麻素受体1（CB1）活性相关的疾病或疾病的方法。
• WITKIEWICZ, KRYSTYNA;MACHON, ZDZISLAW;MORDARSKI, MARIAN;WIECZOREK, JADWIG+, POL. J. PHARMACOL. AND PHARM., 39,(1987) N 6, 715-720
  作者：WITKIEWICZ, KRYSTYNA、MACHON, ZDZISLAW、MORDARSKI, MARIAN、WIECZOREK, JADWIG+

  DOI：——

  日期：——
• US8158634B2
  申请人：——

  公开号：US8158634B2

  公开（公告）日：2012-04-17
• Synthesis and characterization of a novel heterocycle: 1‐Substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐ <i>d</i> ]‐1,3‐oxazine
  作者：Kunlun He、Guofu Qiu、Xianming Hu、Houjun Lv、Junbo Wang

  DOI：10.1002/jhet.5570450211

  日期：2008.3

  Abstractmagnified imageA series of novel heterocycles 1‐aryl‐ or alkyl‐substituted‐4‐arylazamethylene‐6‐arylpyrazolo[5,4‐d]‐1,3‐oxazines were synthesized from the acylation of (5‐amino‐1‐substituted‐pyrazol‐4‐yl)‐N‐carboxamide in 63‐89% isolated yields at room temperature within 12 hours. The structure was confirmed by X‐ray crystal analysis.