1-(3-trifluoromethylphenyl)-3-ethoxycarbonyl-5-aminopyrazole | 356779-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-trifluoromethylphenyl)-3-ethoxycarbonyl-5-aminopyrazole
• 英文别名: 1-(3-trifluormethylphenyl)-3-ethoxycarbonyl-5-aminopyrazole；Ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
• CAS: 356779-36-7
• 化学式: C₁₃H₁₂F₃N₃O₂
• 分子量: 299.252
• InChiKey: WOVABHRPKHQHDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-氨基异喹啉 、 1-(3-trifluoromethylphenyl)-3-ethoxycarbonyl-5-aminopyrazole 在 sodium hydroxide 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 5-amino-N-isoquinolin-5-yl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
  参考文献：
  名称：

  Pyrazolecarboxamide human neuropeptide Y5 receptor ligands with in vivo antifeedant activity

  摘要：

  1-Aryl-3-carboxamido-5-alkylpyrazoles were prepared based on a hit found in high-throughput screening of our corporate Compound library in an assay measuring affinity for the human neuropeptide Y5 receptor. 1-(3-Trifluoromethylphenyl)-3-[N-(5-quinolinyl)carboxamido]-5-methylpyrazole (31) bound to the human neuropeptide Y5 receptor with a 80 nM IC50 and was shown to inhibit cumulative food consumption 43.2% 2-6 It after ip dosing in a fasting-induced feeding model in rats. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00449-8
• 作为产物：
  描述：

  3-三氟甲基苯肼 在 硫酸 作用下， 以 氯仿 、 水 为溶剂， 生成 1-(3-trifluoromethylphenyl)-3-ethoxycarbonyl-5-aminopyrazole
  参考文献：
  名称：

  Amino pyrazole derivatives useful for the treatment of obesity and other disorders

  摘要：

  Amino pyrazole衍生物的化学式如下： 1 描述了这些化合物是神经肽Y亚型5受体的配体，并且含有氨基吡唑衍生物作为活性成分的药物组合物。氨基吡唑衍生物在治疗与NPY受体亚型Y5相关的疾病和疾病中是有用的。

  公开号：

  US20020065289A1

文献信息

• AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1257539B1

  公开（公告）日：2004-12-29
• US6531478B2
  申请人：——

  公开号：US6531478B2

  公开（公告）日：2003-03-11
• [EN] AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS<br/>[FR] DERIVES D'AMINO PYRAZOLE UTILISES DANS LE TRAITEMENT DE L'OBESITE ET D'AUTRES TROUBLES
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2001062737A2

  公开（公告）日：2001-08-30

  Amino pyrazole derivatives of the formula (I) which are ligands for the neuropeptide Y, subtype 5 receptor and pharmaceutical compositions containing an amino pyrazole derivative as the active ingredient are described. The amino pyrazole derivatives are useful in the treatment of disorders and diseases associated with the NPY receptor subtype Y5.
• Amino pyrazole derivatives useful for the treatment of obesity and other disorders
  申请人：——

  公开号：US20020065289A1

  公开（公告）日：2002-05-30

  Amino pyrazole derivatives of the formula: 1 which are ligands for the neuropeptide Y, subtype 5 receptor and pharmaceutical compositions containing an amino pyrazole derivative as the active ingredient are described. The amino pyrazole derivatives are useful in the treatment of disorders and diseases associated with the NPY receptor subtype Y5.

  Amino pyrazole衍生物的化学式如下： 1 描述了这些化合物是神经肽Y亚型5受体的配体，并且含有氨基吡唑衍生物作为活性成分的药物组合物。氨基吡唑衍生物在治疗与NPY受体亚型Y5相关的疾病和疾病中是有用的。
• Pyrazolecarboxamide human neuropeptide Y5 receptor ligands with in vivo antifeedant activity
  作者：Cheryl P. Kordik、Chi Luo、Brian C. Zanoni、Timothy W. Lovenberg、Sandy J. Wilson、Anil H. Vaidya、Jeffrey J. Crooke、Daniel I. Rosenthal、Allen B. Reitz

  DOI：10.1016/s0960-894x(01)00449-8

  日期：2001.9

  1-Aryl-3-carboxamido-5-alkylpyrazoles were prepared based on a hit found in high-throughput screening of our corporate Compound library in an assay measuring affinity for the human neuropeptide Y5 receptor. 1-(3-Trifluoromethylphenyl)-3-[N-(5-quinolinyl)carboxamido]-5-methylpyrazole (31) bound to the human neuropeptide Y5 receptor with a 80 nM IC50 and was shown to inhibit cumulative food consumption 43.2% 2-6 It after ip dosing in a fasting-induced feeding model in rats. (C) 2001 Elsevier Science Ltd. All rights reserved.