(3-(三氟甲基)吡啶-2-基)甲胺 | 886371-24-0

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (3-(三氟甲基)吡啶-2-基)甲胺
• 中文别名: 2-甲氨基-3-三氟甲基吡啶；3-三氟甲基吡啶-2-甲胺
• 英文名称: 1-[3-(trifluoromethyl)pyridin-2-yl]methanamine
• 英文别名: (3-(trifluoromethyl)pyridin-2-yl)methanamine；[3-(trifluoromethyl)pyridin-2-yl]methanamine
• CAS: 886371-24-0
• 化学式: C₇H₇F₃N₂
• 分子量: 176.141
• InChiKey: WJKDJSRGLDAXHI-UHFFFAOYSA-N

物化性质

• 沸点：
  187.3±35.0 °C(Predicted)
• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-(三氟甲基)吡啶-2-基)甲胺 在 氢气 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
  参考文献：
  名称：

  Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists

  摘要：

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.122
• 作为产物：
  描述：

  3-三氟甲基-2-吡啶腈 在 palladium on activated charcoal 、 氢气 、 溶剂黄146 作用下， 生成 (3-(三氟甲基)吡啶-2-基)甲胺
  参考文献：
  名称：

  Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists

  摘要：

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.122

文献信息

• Carbamate compounds
  申请人：Fu Hong

  公开号：US20080214617A1

  公开（公告）日：2008-09-04

  Carbamate compounds having a structure represented by formula I (where R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined herein) are useful as anti-tumor agents.

  具有由公式I表示的结构的氨基甲酸酯化合物（其中R1，R2，R3，R4，R5和R6如本文所定义）可用作抗肿瘤剂。
• [EN] AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES<br/>[FR] COMPOSÉS AMINOPYRAZINES AYANT DES PROPRIÉTÉS ANTAGONISTES DE L'A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2016081290A1

  公开（公告）日：2016-05-26

  Disclosed are compounds of Formula A and Formula A-1, or a salt thereof, and pharmaceutical formulations (pharmaceutical compositions) comprising those compounds, or a salt thereof; wherein "R1", "RA-1", "R2", "R3", and "Het" are defined herein above, which compounds are believed suitable for use in selectively antagonizing the A2a receptors, for example, those found in high density in the basal ganglia. Such compounds and pharmaceutical formulations are believed to be useful in treatment or management of neurodegenerative diseases, for example, Parkinson's disease, or movement disorders arising from use of certain medications used in the treatment or management of Parkinson's disease.

  公开的是Formula A和Formula A-1的化合物，或其盐，以及包含这些化合物或其盐的药物配方（药物组合物）；其中“R1”、“RA-1”、“R2”、“R3”和“Het”如上所定义，这些化合物被认为适用于选择性拮抗A2a受体，例如，在基底神经节中高密度存在的受体。这些化合物和药物配方被认为在治疗或管理神经退行性疾病方面有用，例如帕金森病，或由于使用治疗或管理帕金森病的某些药物而引起的运动障碍。
• Novel Pyrimidine- And Triazine-Hepcidine Antagonists
  申请人：Dürrenberger Franz

  公开号：US20120202806A1

  公开（公告）日：2012-08-09

  The present invention relates to new hepcidin antagonists, pharmaceutical compositions containing them and the use thereof as a drug, in particular for the treatment of iron metabolism disorders such as, in particular, iron deficiency diseases and anaemia, in particular anaemia associated with chronic inflammatory disease (ACD: anaemia of chronic disease and AI: anaemia of inflammation).

  本发明涉及新的肝铁蛋白拮抗剂，包含它们的药物组合物以及将其用作药物的用途，特别是用于治疗铁代谢紊乱，如特别是铁缺乏病和贫血，特别是与慢性炎症性疾病相关的贫血（ACD：慢性疾病性贫血和AI：炎症性贫血）。
• [EN] 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] 1H-BENZIMIDAZOLE-5-CARBOXAMIDES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010034796A1

  公开（公告）日：2010-04-01

  There are provided compounds of formula (I), wherein R1, R6, R8, Q2, Q3, Q3a, Q4, L and A have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation and/or cancer.

  提供了具有式（I）的化合物，其中R1、R6、R8、Q2、Q3、Q3a、Q4、L和A的含义如描述中所给，并且其药学上可接受的盐，这些化合物在治疗需要或期望抑制MAPEG家族成员活性的疾病方面是有用的，特别是在炎症和/或癌症的治疗中。
• [EN] BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS<br/>[FR] BENZIMIDAZOL-2-AMINES EN TANT QU'INHIBITEURS MIDH1
  申请人：BAYER PHARMA AG

  公开号：WO2015121210A1

  公开（公告）日：2015-08-20

  The present invention relates to benzimidazol-2-amines of general formula (I), in which R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11 and R12 are as defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neoplasms, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式(I)的苯并咪唑-2-胺化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12如本文所定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是肿瘤，作为唯一药剂或与其他活性成分组合使用。