(2-amino-5-dimethylamino-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester | 473547-60-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-amino-5-dimethylamino-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester
• 英文别名: (2-amino-5-dimethylamino-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester；(2-amino-5-dimethylamino-4-trifluoromethyl-phenyl)carbamic acid tert-butyl ester；Carbamic acid,n-[2-amino-5-(dimethylamino)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester；tert-butyl N-[2-amino-5-(dimethylamino)-4-(trifluoromethyl)phenyl]carbamate
• CAS: 473547-60-3
• 化学式: C₁₄H₂₀F₃N₃O₂
• 分子量: 319.327
• InChiKey: MEGIEGFVRNXYSU-UHFFFAOYSA-N

物化性质

• 沸点：
  347.4±42.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionic acid tert.-butyl ester 、 (2-amino-5-dimethylamino-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester 以 甲苯 为溶剂， 生成 {5-dimethylamino-2-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert.-butyl ester
  参考文献：
  名称：

  Synthesis and characterization of 1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives: Part 3. New potent non-competitive metabotropic glutamate receptor 2/3 antagonists

  摘要：

  A series of 1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives was evaluated as non-competitive mGluR2/3 antagonists. Replacement of the (2-aryl)-ethynyl-moiety in 8-position with smaller less lipophilic substituents produced compounds inhibiting the binding of [3H]-LY354740 to rat mGluR2 with low nanomolar affinity and consistent functional effect at both mGluR2 and mGluR3. These compounds were able to reverse LY354740-mediated inhibition of field excitatory postsynaptic potentials in the rat dentate gyrus and in vivo activity could be demonstrated by reversal of the LY354740-induced hypoactivity in mice after oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.076
• 作为产物：
  描述：

  (5-dimethylamino-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester 在 钯 作用下， 以Obtained as an amorphous yellow substance (1.34 g)的产率得到(2-amino-5-dimethylamino-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester
  参考文献：
  名称：

  Dihydro-benzo[b][1,4]diazepin-2-one derivatives

  摘要：

  本发明涉及公式1中的二氢苯并[b][1,4]二氮杂环己酮衍生物，其中R1，R2，X和Y如规范中所定义，R3是一个含有1至3个氮原子的六元芳香杂环或一种如规范中进一步定义的吡啶-N-氧化物。本发明还涉及包含这些化合物的药物、它们的制备过程以及它们用于制备用于治疗或预防急性和/或慢性神经系统疾病的药物。

  公开号：

  US20030166639A1

文献信息

• Dihydro-benzo [b][1,4]diazepin-2-one derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US06544985B2

  公开（公告）日：2003-04-08

  This invention is a dihydro-benzo[b][1,4]diazepin-2-one derivative of the formula wherein R1, R2, R3, X and Y are as defined in the specification. The invention includes pharmaceutical compositions containing these compounds, a process for their preparation, their use in preparation of pharmaceutical compositions and administration of an effective amount of the compounds for the treatment or prevention of acute and/or chronic neurological disorders to a patient in need of such treatment.

  这项发明是一种具有以下结构的二氢苯并[b][1,4]二氮杂环己酮衍生物的公式 其中R1、R2、R3、X和Y如规范中定义。该发明包括含有这些化合物的药物组合物，其制备方法，它们在制备药物组合物和向需要此类治疗的患者施用有效量的化合物以治疗或预防急性和/或慢性神经系统疾病的用途。
• [EN] COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS<br/>[FR] COMBINAISON D'ANTAGONISTE MGLUR2 ET D'INHIBITEUR ACHE DESTINEE AU TRAITEMENT DE TROUBLES NEUROLOGIQUES AIGUS ET/OU CHRONIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005014002A1

  公开（公告）日：2005-02-17

  The present invention relates to a method of treatment or prevention of acute and/or chronic neurological disorders, to a pharmaceutical composition comprising an inhibitor of acetylcholinesterase (AChE inhibitor) and a metabotropic Glutamate receptor 2 antagonist (mGluR2 antagonist), to the use of an AChE inhibitor and a mGluR2 antagonist in the preparation of a medicament, and. to kits comprising an AChE inhibitor and a mGluR2 antagonist.

  本发明涉及一种治疗或预防急性和/或慢性神经系统疾病的方法，涉及一种包含乙酰胆碱酯酶抑制剂（AChE抑制剂）和代谢型谷氨酸受体2拮抗剂（mGluR2拮抗剂）的药物组合物，涉及在制备药物中使用AChE抑制剂和mGluR2拮抗剂，以及包含AChE抑制剂和mGluR2拮抗剂的试剂盒。
• DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES
  申请人：Gatti McArthur Silvia

  公开号：US20080261957A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of formula (I), a process for the manufacture thereof, their use for the preparation of medicaments for treating CNS disorders and pharmaceutical compositions containing them. Compounds of formula (I) are represented by general formula (I) wherein R 1 , R 2 , R 3 and R 4 are defined as in the specification.

  本发明涉及式(I)的化合物，其制备方法，它们用于制备用于治疗中枢神经系统疾病的药物以及含有它们的药物组合物。式(I)的化合物由通用式(I)表示，其中R1、R2、R3和R4如规范中定义。
• Dihydro-benzo [b] [1,4] diazepin-2-one derivatives
  申请人：——

  公开号：US20020193367A1

  公开（公告）日：2002-12-19

  This invention is a dihydro-benzo[b][1,4]diazepin-2-one derivative of the formula 1 wherein R 1 , R 2 , R 3 , X and Y are as defined in the specification. The invention includes pharmaceutical compositions containing these compounds, a process for their preparation, their use in preparation of pharmaceutical compositions and administration of an effective amount of the compounds for the treatment or prevention of acute and/or chronic neurological disorders to a patient in need of such treatment.

  这项发明涉及一种公式1中R1、R2、R3、X和Y如规范中所定义的二氢苯并[b][1,4]二氮杂环-2-酮衍生物。该发明包括含有这些化合物的药物组合物、制备它们的方法、它们在制备药物组合物时的使用以及给需要这种治疗的患者施用足够剂量的这些化合物以治疗或预防急性和/或慢性神经系统疾病。
• Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist
  申请人：Ballard Maria Theresa

  公开号：US20050049243A1

  公开（公告）日：2005-03-03

  The present invention relates to a pharmaceutical composition comprising an inhibitor of acetylcholinesterase (AChE inhibitor) and a metabotropic glutamate receptor 2 antagonist (mGluR2 antagonist) and a pharmaceutically acceptable excipient. The invention also relates to a method of treating and/or preventing acute and/or chronic neurological disorders comprising administering to a patient in need of such treatment and/or prevention a therapeutically effective amount of said AChE inhibitor and mGluR2 antagonist as well as a kit comprising said AChE inhibitor and mGluR2 antagonist. In particular, the mGluR2 antagonist relates to the compound of formula I wherein, R 1 , R 2 , R 3 , X and Y are described hereinabove. The combination of the AChE inhibitor and mGluR2 antagonist is useful for treating and/or preventing chronic neurological disorders. These disorders include Alzheimer's disease and mild cognitive impairment.

  本发明涉及一种制药组合物，包括一种乙酰胆碱酯酶抑制剂（AChE抑制剂）和一种代谢型谷氨酸受体2拮抗剂（mGluR2拮抗剂），以及一种药用可接受的辅料。本发明还涉及一种治疗和/或预防急性和/或慢性神经系统疾病的方法，包括向需要此类治疗和/或预防的患者施用所述AChE抑制剂和mGluR2拮抗剂的治疗有效量，以及包含所述AChE抑制剂和mGluR2拮抗剂的试剂盒。特别是，mGluR2拮抗剂涉及式I的化合物，其中，R1、R2、R3、X和Y如上所述。AChE抑制剂和mGluR2拮抗剂的组合对于治疗和/或预防慢性神经系统疾病是有用的。这些疾病包括阿尔茨海默病和轻度认知障碍。