3-(3-cyanophenyl)-1-(bromomethyl)benzene | 325457-63-4

• 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: 3-(3-cyanophenyl)-1-(bromomethyl)benzene
• 英文别名: 3'-bromomethylbiphenyl-3-carbonitrile；3'-(Bromomethyl)-[1,1'-biphenyl]-3-carbonitrile；3-[3-(bromomethyl)phenyl]benzonitrile
• CAS: 325457-63-4
• 化学式: C₁₄H₁₀BrN
• 分子量: 272.144
• InChiKey: ZCLSEGXBWAWWPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  3-(3-cyanophenyl)-1-(bromomethyl)benzene 在 羟胺 、 乙酸酐 、 caesium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and structure–Activity relationships of benzoxazinone-Based factor Xa inhibitors

  摘要：

  A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds I and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inhibitors with improved trypsin selectivity. The P4 modifications lead to monoamidines which are moderately active. The benzoxazinones 41-45 are potent against factor Xa, retain the improved trypsin selectivity of the corresponding aniline-based compounds, and show strong antithrombotic effect dose responsively. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00927-7
• 作为产物：
  描述：

  3-(3-氰基苯基)-1-甲基苯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 15.0h， 生成 3-(3-cyanophenyl)-1-(bromomethyl)benzene
  参考文献：
  名称：

  Benzenamine derivatives as anti-coagulants

  摘要：

  这项发明涉及式（I）的苯胺衍生物：其中A、W、m、n、R1、R2、R3、R4、R5和R6在此处定义。这些化合物可用作抗凝剂。

  公开号：

  US06350761B1

文献信息

• Benzenamine derivatives as anti-coagulants
  申请人：Berlex Laboratories, Inc.

  公开号：US06350761B1

  公开（公告）日：2002-02-26

  This invention is directed to benzenamine derivatives of formula (I): wherein A, W, m, n, R1, R2, R3, R4, R5 and R6 are defined herein. These compounds are useful as anti-coagulants.

  这项发明涉及式（I）的苯胺衍生物：其中A、W、m、n、R1、R2、R3、R4、R5和R6在此处定义。这些化合物可用作抗凝剂。
• Biphenyl derivatives
  申请人：Merck Patent Gesellschaft mit beschraenkterHaftung

  公开号：US06380430B1

  公开（公告）日：2002-04-30

  Novel compounds of the formula I in which X, R1, R2, R3, R4 and R5 have the meaning indicated in Patent Claim 1, are inhibitors of the coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic disorders.

  公式I中的X、R1、R2、R3、R4和R5的含义如专利权要求书1所示的新化合物是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞性疾病。
• Benzazole Potentiators of Metabotropic Glutatmate Receptors
  申请人：Govek Steven P.

  公开号：US20080176904A1

  公开（公告）日：2008-07-24

  The present invention is directed to benzazole compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及苯并咪唑化合物，其是代谢型谷氨酸受体增强剂，包括mGluR2受体，并且在与谷氨酸功能紊乱相关的神经学和精神疾病以及代谢型谷氨酸受体参与的疾病的治疗或预防中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的这些疾病中的使用。
• [DE] BIPHENYLDERIVATE<br/>[EN] BIPHENYL DERIVATIVES<br/>[FR] DERIVES DIPHENYLIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO1999057096A1

  公开（公告）日：1999-11-11

  (DE) Neue Verbindungen der Formel (I), worin X, R1, R2, R3, R4 und R5 die in Patentanspruch 1 angegebene Bedeutung haben, sind Inhibitoren des Koagulationsfaktors Xa und können zur Prophylaxe und/oder Therapie von thromboembolischen Erkrankungen eingesetzt werden.(EN) The invention relates to novel compounds of formula (I), wherein X, R1, R2, R3, R4 and R5 have the meanings cited in Patent Claim No. 1. Said compounds are inhibitors of the coagulation factor Xa and can be used for prophylaxis and/or for treating thromboembolic disorders.(FR) L'invention concerne de nouveaux composés de la formule (I) dans laquelle X, R1, R2, R3, R4 et R5 ont la signification indiquée dans la revendication 1. Ces composés sont des inhibiteurs du facteur de coagulation Xa et peuvent s'utiliser pour la prophylaxie et/ou le traitement de maladies thromboemboliques.

  根据专利要求1所述的X、R1、R2、R3、R4和R5的含义，提供了一种新型的公式（I）的复合物，作为抑制因子Ⅹa的抑制剂，可用于预防和/或治疗血栓聚合性疾病。
• Benzimidazole-Based fXa inhibitors with improved thrombin and trypsin selectivity
  作者：Kenneth J. Shaw、William J. Guilford、Brian D. Griedel、Steve Sakata、Lan Trinh、Shung Wu、Wei Xu、Zuchun Zhao、Michael M. Morrissey

  DOI：10.1016/s0960-894x(02)00145-2

  日期：2002.5

  Optimization of the benzimidazole-based fXa inhibitors for selectivity versus thrombin and trypsin was achieved by substitution on the benzimidazole ring and replacement of the naphthylamidine group. Substitution of a nitro group at the 4-position on the benzimidazole improves both potency against fXa and selectivity versus thrombin. Alternatively, replacement of the naphthylamidine with either a biphenylamidine or propenylbenzamidine not only improves fXa potency and selectivity versus thrombin, but selectivity versus trypsin as well. (C) 2002 Elsevier Science Ltd. All rights reserved.