3-(4-Trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester | 400797-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-Trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
• CAS: 400797-84-4
• 化学式: C₁₈H₂₀F₃N₃O₂
• 分子量: 367.371
• InChiKey: WTMJPYAELCEARF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4-Trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester 在 caesium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-{2-Hydroxy-3-[4-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-piperidin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors

  摘要：

  A series of competitive, reversible cathepsin S (CatS) inhibitors was investigated. An earlier disclosure detailed the discovery of the 4-(2-keto-1-benzimidazolinyl)-piperidin-1-yl moiety as an effective replacement for the 4-arylpiperazin-1-yl group found in our screening hit. Continued investigation into replacements for the 4-aryl piperazine resulted in the identification of potentially useful CatS inhibitors with enzymatic and Cellular activity similar to that of JNJ 10329670 as disclosed in a previous publication. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.038
• 作为产物：
  描述：

  、 1-(3-Hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester 、 锂硼氢 、 1-(2-methoxycarbonyl-ethyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester 在 乙酸乙酯 、 碳酸氢钠 、 Sodium sulfate-III 、 silica 、 methanol-dichloromethane 作用下， 以 四氢呋喃 为溶剂， 反应 17.08h， 以Column chromatography (silica, 0-8% MeOH/CH2Cl2) afforded 268 mg (95%) of the title compound的产率得到3-(4-Trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Substituted pyrazoles

  摘要：

  被替代的吡唉唑，其制造方法，含有它们的组合物，以及使用它们治疗例如由cathepsin S介导的自身免疫疾病的方法。

  公开号：

  US07429591B2

文献信息

• Method for treating allergies using substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050101587A9

  公开（公告）日：2005-05-12

  A method for treating an allergic condition, including an atopic allergic condition, using substituted pyrazoles.

  使用取代吡唑烷治疗过敏症状的方法，包括特应性过敏症状。
• Substituted pyrazoles and methods of treatment with substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20070117785A1

  公开（公告）日：2007-05-24

  Substituted pyrazoles, methods of manufacturing them, compositions containing them, and methods of using them to treat, for example, autoimmune diseases or allergic conditions, including atopic allergic conditions, mediated by cathepsin S are described.

  本文描述了替代吡唑的制造方法、含有它们的组合物以及使用它们治疗自身免疫性疾病或过敏症的方法，包括由cathepsin S介导的过敏症，例如特应性过敏症。
• SUBSTITUTED PYRAZOLES
  申请人：Ortho McNeil Pharmaceuticals, Inc.

  公开号：EP1309591A2

  公开（公告）日：2003-05-14
• A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1315490B1

  公开（公告）日：2008-11-12
• METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES
  申请人：Ortho McNeil Pharmaceuticals, Inc.

  公开号：EP1315491A2

  公开（公告）日：2003-06-04