(3'-cyanobiphenyl-4-yl)methylamine | 518307-25-0

• 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'-cyanobiphenyl-4-yl)methylamine
• 英文别名: (3'-cyano-4-biphenyl)methylamine；Akos bar-2023；3-[4-(aminomethyl)phenyl]benzonitrile
• CAS: 518307-25-0
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: WJEFDSLARSPEKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3'-cyanobiphenyl-4-yl)methylamine 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-Chloro-N-(3'-cyano-biphenyl-4-ylmethyl)-N-[(3,5-dichloro-phenylcarbamoyl)-methyl]-propionamide
  参考文献：
  名称：

  Biaryl diamides as potent melanin concentrating hormone receptor 1 antagonists

  摘要：

  Herein, we report the discovery of the potent and selective biaryl diamide derived MCH-R1 receptor antagonist 1, which was identified upon modification of a previously disclosed biaryl urea series. This paper describes one of the strategies incorporated to remove the highly mutagenic biarylaniline present in an otherwise promising biaryl urea series. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.043
• 作为产物：
  描述：

  对溴苄胺 、 3-氰基苯硼酸 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以85%的产率得到(3'-cyanobiphenyl-4-yl)methylamine
  参考文献：
  名称：

  新型系列的取代联苯甲基脲衍生物作为MCH-R1拮抗剂，可用于治疗肥胖症。

  摘要：

  我们已经基于取代的联苯甲基尿素核心设计并合成了两个新颖的MCH-R1拮抗剂系列。探索了SAR，表明当联苯甲基和连接基被尿素部分的相同氮取代时，与受体的最佳结合得以实现。化合物1-（3'-氰基-4-联苯甲基）-3-（2-羟基-1,1-二甲基乙基）-1- {2- [1-（4-甲基苄基）-4-哌啶基]乙基}脲2t以43 nM K（i）显示出对MCH-R1的最佳拮抗剂结合活性。

  DOI：

  10.1016/j.bmc.2007.02.049

文献信息

• Substituted <i>N</i>-(Biphenyl-4′-yl)methyl (<i>R</i>)-2-Acetamido-3-methoxypropionamides: Potent Anticonvulsants That Affect Frequency (Use) Dependence and Slow Inactivation of Sodium Channels
  作者：Hyosung Lee、Ki Duk Park、Robert Torregrosa、Xiao-Fang Yang、Erik T. Dustrude、Yuying Wang、Sarah M. Wilson、Cindy Barbosa、Yucheng Xiao、Theodore R. Cummins、Rajesh Khanna、Harold Kohn

  DOI：10.1021/jm500707r

  日期：2014.7.24

  We prepared 13 derivatives of N-(biphenyl-4'-yl)methyl (R)-2-acetamido-3-methoxypropionamide that differed in type and placement of a R-substituent in the terminal aryl unit. We demonstrated that the R-substituent impacted the compound's whole animal and cellular pharmacological activities. In rodents, select compounds exhibited excellent anticonvulsant activities and protective indices (PI = TD50/ED50) that compared favorably with clinical antiseizure drugs. Compounds with a polar, aprotic R-substituent potently promoted Na+ channel slow inactivation and displayed frequency (use) inhibition of Na+ currents at low micromolar concentrations. The possible advantage of affecting these two pathways to decrease neurological hyperexcitability is discussed.
• [EN] COMPOUNDS AS DGAT-1 INHIBITORS<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DE DGAT-1
  申请人：MERCK SHARP & DOHME

  公开号：WO2013130370A2

  公开（公告）日：2013-09-06

  Described herein are compounds of formula I. The compounds of formula I act as DGAT1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for hyperlipidemia, diabetes mellitus and obesity.
• [EN] HEPATITIS B CORE PROTEIN MODULATORS<br/>[FR] MODULATEURS DES PROTÉINES DU NOYAU DE L'HÉPATITE B
  申请人：ASSEMBLY BIOSCIENCES INC

  公开号：WO2017048962A1

  公开（公告）日：2017-03-23

  The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound.