1-{5-cyclopropyl-1-[1-(5-methyl-4H-[1,2,4]triazol-3-yl)piperidin-4-yl]-1H-pyrazole-4-carbonyl}-[(S)-3-(2-trifluoromethylphenyl)]pyrrolidine hydrochloride | 916829-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-{5-cyclopropyl-1-[1-(5-methyl-4H-[1,2,4]triazol-3-yl)piperidin-4-yl]-1H-pyrazole-4-carbonyl}-[(S)-3-(2-trifluoromethylphenyl)]pyrrolidine hydrochloride
• 英文别名: [5-cyclopropyl-1-[1-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]pyrazol-4-yl]-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride
• CAS: 916829-44-2
• 化学式: C₂₆H₃₀F₃N₇O*ClH
• 分子量: 550.027
• InChiKey: PWAGSQVXGYRCOE-GMUIIQOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  82.9
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  methyl 4-{5-cyclopropyl-4-[(S)-3-(2-trifluoromethylphenyl)pyrrolidine-1-carbonyl]pyrazol-1-yl}piperidine-1-imidothiocarboxylate hydroiodide 、 乙酰肼 在 sodium acetate 、 盐酸 作用下， 以 1,4-二氧六环 、 水 、 乙酸乙酯 为溶剂， 生成 1-{5-cyclopropyl-1-[1-(5-methyl-4H-[1,2,4]triazol-3-yl)piperidin-4-yl]-1H-pyrazole-4-carbonyl}-[(S)-3-(2-trifluoromethylphenyl)]pyrrolidine hydrochloride
  参考文献：
  名称：

  EP2103603

  摘要：

  公开号：

文献信息

• Heterocyclic compounds
  申请人：Yamamoto Hiroshi

  公开号：US20070072908A1

  公开（公告）日：2007-03-29

  The present invention provides a compound represented by the following formula [1′] or a salt thereof: wherein ring A, R 2 , R 3 , R 4 and X are as defined in the description, and an agent for the treatment or prophylaxis of a pathology involving glucocorticoid, or a 11βHSD1 inhibitor, containing the compound or a salt thereof.

  本发明提供了由以下式[1']表示的化合物或其盐： 其中环A，R2，R3，R4和X如描述中所定义，并且包含该化合物或其盐的用于治疗或预防涉及糖皮质激素的病理或11βHSD1抑制剂的药剂。
• METHOD FOR PRODUCING PYRROLIDINE COMPOUND
  申请人：Harada Kazuhito

  公开号：US20100010219A1

  公开（公告）日：2010-01-14

  Provided is a method capable of efficiently producing a compound having a superior HSD1 inhibitory action and a compound useful as a synthetic intermediate therefor, with superior achievability of asymmetric synthesis (i.e., superior selectivity), superior yield, superior safety and superior industrial workability at a low cost. A method of producing a compound represented by the following formula [8]: or a salt thereof, or a solvate thereof, from a compound represented by the following formula [2]: or a reactive derivative thereof, or a salt thereof, or a solvate thereof.

  提供了一种能够高效生产具有优越的HSD1抑制作用的化合物以及一种用于其合成中间体的化合物的方法，具有优越的不对称合成可实现性（即优越的选择性），优越的产率，优越的安全性和优越的低成本工业可操作性。从以下化合物[2]或其反应衍生物，盐或溶剂盐，或其溶剂盐，生产以下式[8]所表示的化合物或其盐，或其溶剂盐的方法。
• HETEROCYCLIC COMPOUNDS
  申请人：Yamamoto Hiroshi

  公开号：US20110245223A1

  公开（公告）日：2011-10-06

  The present invention provides a compound represented by the following formula [1′] or a salt thereof: wherein ring A, R 2 , R 3 , R 4 and X are as defined in the description, and an agent for the treatment or prophylaxis of a pathology involving glucocorticoid, or a 11βHSD1 inhibitor, containing the compound or a salt thereof.

  本发明提供了下式[1']所表示的化合物或其盐：其中，环A、R2、R3、R4和X如描述中所定义，以及用于治疗或预防涉及糖皮质激素的病理学或11βHSD1抑制剂的药剂，包含该化合物或其盐。
• HETEROCYCLIC COMPOUND
  申请人：Japan Tobacco, Inc.

  公开号：EP1889842A1

  公开（公告）日：2008-02-20

  The present invention provides a compound represented by the following formula [1'] or a salt thereof: wherein ring A, R2, R3, R4 and X are as defined in the description, and an agent for the treatment or prophylaxis of a pathology involving glucocorticoid, or a 11βHSD1 inhibitor, containing the compound or a salt thereof.

  本发明提供了由下式[1']代表的化合物或其盐： 其中环A、R2、R3、R4和X如描述中所定义，以及含有该化合物或其盐的用于治疗或预防涉及糖皮质激素的病变的制剂或11βHSD1抑制剂。