(6-Methoxy-5-methylpyridin-3-yl)methanamine | 1033691-32-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (6-Methoxy-5-methylpyridin-3-yl)methanamine
• CAS: 1033691-32-5
• 化学式: C₈H₁₂N₂O
• mdl: MFCD18905337
• 分子量: 152.196
• InChiKey: NMWNCWPSIFFVBR-UHFFFAOYSA-N

物化性质

• 沸点：
  253.8±35.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (6-Methoxy-5-methylpyridin-3-yl)methanamine 在 盐酸 、 tin 、 potassium peroxymonosulfate 、 氢溴酸 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-[[5-[3-ethyl-5-[5-(trifluoromethyl)-2-furyl]pyrazol-1-yl]-2-[2-hydroxy-5-(pyrrolidine-1-carbonyl)phenyl]benzimidazol-1-yl]methyl]-3-methyl-1H-pyridin-2-one
  参考文献：
  名称：

  Inhibition of HIV-1 capsid assembly: Optimization of the antiviral potency by site selective modifications at N1, C2 and C16 of a 5-(5-furan-2-yl-pyrazol-1-yl)-1H-benzimidazole scaffold

  摘要：

  A uHTS campaign led to the discovery of a 5-(5-furan-2-ylpyrazol-1-yl)-1H-benzimidazole series that inhibits assembly of HIV-1 capsid. Synthetic manipulations at N1, C2 and C16 positions improved the antiviral potency by a factor of 1000. The X-ray structure of 33 complexed with the capsid N-terminal domain allowed identification of major interactions between the inhibitor and the protein. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.034
• 作为产物：
  描述：

  5-溴-2-甲氧基-3-甲基吡啶 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 氘代甲醇-d 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (6-Methoxy-5-methylpyridin-3-yl)methanamine
  参考文献：
  名称：

  Inhibition of HIV-1 capsid assembly: Optimization of the antiviral potency by site selective modifications at N1, C2 and C16 of a 5-(5-furan-2-yl-pyrazol-1-yl)-1H-benzimidazole scaffold

  摘要：

  A uHTS campaign led to the discovery of a 5-(5-furan-2-ylpyrazol-1-yl)-1H-benzimidazole series that inhibits assembly of HIV-1 capsid. Synthetic manipulations at N1, C2 and C16 positions improved the antiviral potency by a factor of 1000. The X-ray structure of 33 complexed with the capsid N-terminal domain allowed identification of major interactions between the inhibitor and the protein. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.034

文献信息

• INHIBITORS OF HIV REPLICATION
  申请人：Yoakim Christiane

  公开号：US20100069353A1

  公开（公告）日：2010-03-18

  The present invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 and R 4 are as defined herein, compositions and uses thereof for treating human immunodeficiency virus (HIV) infection. In particular, the present invention provides novel inhibitors of HIV replication, pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HIV infection.
• HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME
  申请人：EA Pharma Co., Ltd.

  公开号：US20190023699A1

  公开（公告）日：2019-01-24

  Compounds of represented by formula (I): wherein each symbol is defined herein and pharmaceutically acceptable salts thereof exhibit TRPA1 antagonist activity and are useful as TRPA1 antagonists and the prophylaxis or treatment of diseases involving TRPA1.
• US8039638B2
  申请人：——

  公开号：US8039638B2

  公开（公告）日：2011-10-18