Benzonitrile, 3-((butylamino)methyl)- | 90390-00-4

• 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: Benzonitrile, 3-((butylamino)methyl)-
• 英文别名: 3-(butylaminomethyl)benzonitrile
• CAS: 90390-00-4
• 化学式: C₁₂H₁₆N₂
• mdl: MFCD11142457
• 分子量: 188.272
• InChiKey: NRMAIIDKOGFGEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氰基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 Benzonitrile, 3-((butylamino)methyl)-
  参考文献：
  名称：

  Benzylamines: synthesis and evaluation of antimycobacterial properties

  摘要：

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.

  DOI：

  10.1021/jm00375a005

文献信息

• PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE
  申请人：Guibourt Nathalie

  公开号：US20120004262A1

  公开（公告）日：2012-01-05

  The present invention relates to phenylcyclopropylamine derivatives. In particular, pharmaceutical compositions comprising phenylcyclopropylamine derivatives are provided. The compounds of this invention can, inter alia, be used for the treatment and the prevention of cancer as well as neurodegenerative diseases or disorders.

  本发明涉及苯基环丙胺衍生物。具体而言，本发明提供了含有苯基环丙胺衍生物的药物组合物。本发明的化合物可以用于治疗和预防癌症以及神经退行性疾病或紊乱等方面。
• Shpan'ko, I. V.; Korostylev, A. P.; Rusu, L. N., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 1715 - 1723
  作者：Shpan'ko, I. V.、Korostylev, A. P.、Rusu, L. N.

  DOI：——

  日期：——
• Shpan'ko, I. V.; Serebryakov, I. M.; Korostylev, A. P., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 7, p. 1224 - 1230
  作者：Shpan'ko, I. V.、Serebryakov, I. M.、Korostylev, A. P.

  DOI：——

  日期：——
• Benzylamines: synthesis and evaluation of antimycobacterial properties
  作者：Wolfgang R. Meindl、Erwin Von Angerer、Helmut Schoenenberger、Gotthard Ruckdeschel

  DOI：10.1021/jm00375a005

  日期：1984.9

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.