4-[[3-(三氟甲基)苯基]甲基]哌啶 | 37581-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-[[3-(三氟甲基)苯基]甲基]哌啶
• 英文名称: 4-[3-(trifluoromethyl)benzyl]piperidine
• 英文别名: 4-(3-Trifluoromethyl-benzyl)-piperidine；4-[[3-(trifluoromethyl)phenyl]methyl]piperidine
• CAS: 37581-28-5
• 化学式: C₁₃H₁₆F₃N
• mdl: MFCD05863563
• 分子量: 243.272
• InChiKey: PZWXUYUFCRMWPP-UHFFFAOYSA-N

物化性质

• 沸点：
  282.9±35.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 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：

  4-[[3-(三氟甲基)苯基]甲基]哌啶 在 氨 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 64.25h， 生成 2-{4-[3-(trifluoromethyl)benzyl]piperidin-l1-yl}-1,3-thiazole-5-carboxamide
  参考文献：
  名称：

  WO2006/130986

  摘要：

  公开号：

文献信息

• Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase
  申请人：Li Chun Sing

  公开号：US20090099200A1

  公开（公告）日：2009-04-16

  Azacyclohexane derivatives of structural formula I are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

  结构式I的脂环己基衍生物是选择性抑制硬脂酰辅酶A delta-9去饱和酶（SCD1）相对于其他已知的硬脂酰辅酶A去饱和酶的化合物。本发明的化合物可用于预防和治疗与异常脂质合成和代谢有关的疾病，包括心血管疾病、动脉粥样硬化、肥胖症、糖尿病、神经系统疾病、代谢综合征、胰岛素抵抗和肝脂肪变性。
• Novel sulfonamides having dual dopamine D2 and D3 receptor affinity show in vivo antipsychotic efficacy with beneficial cognitive and EPS profile
  作者：Éva Ágai-Csongor、Katalin Nógrádi、János Galambos、István Vágó、Attila Bielik、Ildikó Magdó、Györgyi Ignácz-Szendrei、György Miklós Keserű、István Greiner、István Laszlovszky、Éva Schmidt, Béla Kiss、Katalin Sághy, Judit Laszy、István Gyertyán、Mária Zájer-Balázs、Larisza Gémesi、György Domány

  DOI：10.1016/j.bmcl.2007.08.015

  日期：2007.10

  A novel series of arylsulfonamides was prepared either by automated parallel or by traditional solution-phase synthesis. Several members of this compound library were identified as high-affinity dopamine D3 and D2 receptor ligands. The most interesting representative, compound 2, showed potent antipsychotic behaviour coupled with a beneficial cognitive and EPS profile. (C) 2007 Elsevier Ltd. All rights reserved.
• Discovery of cariprazine (RGH-188): A novel antipsychotic acting on dopamine D3/D2 receptors
  作者：Éva Ágai-Csongor、György Domány、Katalin Nógrádi、János Galambos、István Vágó、György Miklós Keserű、István Greiner、István Laszlovszky、Anikó Gere、Éva Schmidt、Béla Kiss、Mónika Vastag、Károly Tihanyi、Katalin Sághy、Judit Laszy、István Gyertyán、Mária Zájer-Balázs、Larisza Gémesi、Margit Kapás、Zsolt Szombathelyi

  DOI：10.1016/j.bmcl.2012.03.104

  日期：2012.5

  Medicinal chemistry optimization of an impurity isolated during the scale-up synthesis of a pyridylsulfonamide type dopamine D-3/D-2 compound (1) led to a series of new piperazine derivatives having affinity to both dopamine D-3 and D-2 receptors. Several members of this group showed excellent pharmacokinetic and pharmacodynamic properties as demonstrated by outstanding activities in different antipsychotic tests. The most promising representative, 2m (cariprazine) had good absorption, excellent brain penetration and advantageous safety profile. Based on its successful clinical development we are looking forward to the NDA filing of cariprazine in 2012. (C) 2012 Elsevier Ltd. All rights reserved.
• AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE
  申请人：Merck Frosst Canada Ltd.

  公开号：EP1902051A1

  公开（公告）日：2008-03-26
• BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Hoffmann-La Roche Inc.

  公开号：US20200308158A1

  公开（公告）日：2020-10-01

  The invention provides new heterocyclic compounds having the general formula (I) wherein A, L, X, m, n, R 1 , R 2 and R 3 are as described herein, pharmaceutically acceptable salts thereof, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.