(S)-3-(2-(trifluoromethyl)phenyl)pyrrolidine | 916830-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-3-(2-(trifluoromethyl)phenyl)pyrrolidine
• 英文别名: (3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine
• CAS: 916830-71-2
• 化学式: C₁₁H₁₂F₃N
• 分子量: 215.218
• InChiKey: BHQVEKYUXFSYAH-MRVPVSSYSA-N

物化性质

• 沸点：
  252.2±40.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-3-(2-(trifluoromethyl)phenyl)pyrrolidine 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 (S)-3-(2-trifluoromethylphenyl)pyrrolidine hydrochloride
  参考文献：
  名称：

  EP2103603

  摘要：

  公开号：
• 作为产物：
  描述：

  (S)-4-(2-trifluoromethylphenyl)pyrrolidin-2-one 在 lithium aluminium tetrahydride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.5h， 生成 (S)-3-(2-(trifluoromethyl)phenyl)pyrrolidine
  参考文献：
  名称：

  Heterocyclic compounds

  摘要：

  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。

  公开号：

  US20070072908A1

文献信息

• 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。
• PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Ryu Je Ho

  公开号：US20130210811A1

  公开（公告）日：2013-08-15

  Provided are picolinamide and pyrimidine-4-carboxamide compounds, a method for preparing the same, a pharmaceutical composition containing the same, and a medical use using the compound as an agent for preventing, regulating, and treating diseases related to regulation of glucocorticoids by using selective inhibitory activity of the compound for an 11β-HSD1 enzyme. The picolinamide and pyrimidine-4-carboxamide compounds of the present invention are selective inhibitors of human-derived 11β-HSD1 enzymes, and are useful in an agent for preventing, regulating, and treating diseases related to glucocorticoid regulation in which human-derived 11β-HSD1 enzymes are involved, for example, metabolic syndromes such as, type 1 and type 2 diabetes, diabetes later complications, latent autoimmune diabetes adult (LADA), insulin tolerance syndromes, obesity, impaired glucose tolerance (IGT), impaired fasting glucose (IFG), damaged glucose tolerance, dyslipidemia, atherosclerosis, hypertension, etc.

  本发明提供了吡啶甲酰胺和嘧啶-4-羧酰胺化合物、制备方法、含有该化合物的制药组合物以及使用该化合物作为11β-HSD1酶的选择性抑制剂，用于预防、调节和治疗与糖皮质激素调节相关的疾病的医疗用途。本发明的吡啶甲酰胺和嘧啶-4-羧酰胺化合物是人源11β-HSD1酶的选择性抑制剂，可用于预防、调节和治疗与人源11β-HSD1酶参与的糖皮质激素调节相关疾病，例如代谢综合征，如1型和2型糖尿病、糖尿病后并发症、成人隐形自身免疫性糖尿病（LADA）、胰岛素耐受综合征、肥胖症、糖耐量受损（IGT）、空腹血糖受损（IFG）、糖耐量受损、血脂异常、动脉粥样硬化、高血压等。
• Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same
  申请人：Ryu Je Ho

  公开号：US09096571B2

  公开（公告）日：2015-08-04

  Provided are picolinamide and pyrimidine-4-carboxamide compounds, a method for preparing the same, a pharmaceutical composition containing the same, and a medical use using the compound as an agent for preventing, regulating, and treating diseases related to regulation of glucocorticoids by using selective inhibitory activity of the compound for an 11β-HSD1 enzyme. The picolinamide and pyrimidine-4-carboxamide compounds of the present invention are selective inhibitors of human-derived 11β-HSD1 enzymes, and are useful in an agent for preventing, regulating, and treating diseases related to glucocorticoid regulation in which human-derived 11β-HSD1 enzymes are involved, for example, metabolic syndromes such as, type 1 and type 2 diabetes, diabetes later complications, latent autoimmune diabetes adult (LADA), insulin tolerance syndromes, obesity, impaired glucose tolerance (IGT), impaired fasting glucose (IFG), damaged glucose tolerance, dyslipidemia, atherosclerosis, hypertension, etc.

  本发明提供了吡啶甲酰胺和嘧啶-4-羧酰胺化合物、其制备方法、含有该化合物的药物组合物，以及使用该化合物作为11β-HSD1酶的选择性抑制活性的药剂来预防、调节和治疗与糖皮质激素调节相关的疾病的医疗用途。本发明的吡啶甲酰胺和嘧啶-4-羧酰胺化合物是人源11β-HSD1酶的选择性抑制剂，在预防、调节和治疗与人源11β-HSD1酶相关的糖皮质激素调节疾病中非常有用，例如代谢综合征、1型和2型糖尿病、糖尿病后并发症、成人潜在自身免疫性糖尿病、胰岛素耐量综合征、肥胖症、糖耐量受损、空腹血糖受损、糖耐量受损、血脂异常、动脉硬化和高血压等。
• 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。