(4-n-propylbenzyl)-(3-[4-n-propylbenzylaminomethyl]cyclohexylmethyl)amine | 1217600-18-4

• 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: (4-n-propylbenzyl)-(3-[4-n-propylbenzylaminomethyl]cyclohexylmethyl)amine
• 英文别名: 1-(4-propylphenyl)-N-[[3-[[(4-propylphenyl)methylamino]methyl]cyclohexyl]methyl]methanamine；N-[(4-propylphenyl)methyl]-1-[3-[[(4-propylphenyl)methylamino]methyl]cyclohexyl]methanamine
• CAS: 1217600-18-4
• 化学式: C₂₈H₄₂N₂
• 分子量: 406.655
• InChiKey: ZCZOWWVMWRDFQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-n-propylbenzyl)-(3-[4-n-propylbenzylaminomethyl]cyclohexylmethyl)amine 在 盐酸 作用下， 以 氯仿 为溶剂， 生成 N-[(4-propylphenyl)methyl]-1-[3-[[(4-propylphenyl)methylamino]methyl]cyclohexyl]methanamine;hydrochloride
  参考文献：
  名称：

  Synthesis and antibacterial activity of benzyl-[3-(benzylamino-methyl)-cyclohexylmethyl]-amine derivatives

  摘要：

  A series of benzyl-[3-(benzylamino-methyl)-cyclohexylmethyl]-amine derivatives with different substitution pattern on the aromatic ring have been prepared and evaluated for their antibacterial activity against Gram-positive and Gram-negative bacterial strains. Most of the compounds exhibit potent activity against Pseudomonas aeruginosa and Staphylococcus epidermidis while compounds 6l and 6m showed antibacterial activity against all the four bacterial strains with MIC values ranging from 0.002 to 0.016 mu g/mL and no hemolytic activity up to 512 mu g/mL in mammalian erythrocytes was observed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.074
• 作为产物：
  描述：

  4-丙基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 (4-n-propylbenzyl)-(3-[4-n-propylbenzylaminomethyl]cyclohexylmethyl)amine
  参考文献：
  名称：

  Antimycobacterial activity evaluation, time-kill kinetic and 3D-QSAR study of C-(3-aminomethyl-cyclohexyl)-methylamine derivatives

  摘要：

  A series of C-(3-aminomethyl-cyclohexyl)-methylamine derivatives were synthesized and evaluated for their antitubercular activity. Some of the compounds exhibited potent activity against Mycobacterium tuberculosis H37Rv. One of the compound having t-butyl at para position of the benzene ring showed excellent activity even better than the standard drug ethambutol with MIC value 1.1 +/- 0.2 mu M. The time-kill kinetics study of two most active compounds showed rapid killing of the M. tuberculosis within 4 days. Additionally atom-based quantitative structure-activity relationship (QSAR) model was developed that gave a statistically satisfying result (R-2) = 0.92, Q(2) = 0.75, Pearson-R = 0.96 and effectively predicts the anti-tuberculosis activity of training and test set compounds. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.083

文献信息

• Synthesis and antibacterial activity of benzyl-[3-(benzylamino-methyl)-cyclohexylmethyl]-amine derivatives
  作者：Deepak Kumar、Seema Joshi、Rajesh K. Rohilla、Nilanjan Roy、Diwan S. Rawat

  DOI：10.1016/j.bmcl.2009.12.074

  日期：2010.2

  A series of benzyl-[3-(benzylamino-methyl)-cyclohexylmethyl]-amine derivatives with different substitution pattern on the aromatic ring have been prepared and evaluated for their antibacterial activity against Gram-positive and Gram-negative bacterial strains. Most of the compounds exhibit potent activity against Pseudomonas aeruginosa and Staphylococcus epidermidis while compounds 6l and 6m showed antibacterial activity against all the four bacterial strains with MIC values ranging from 0.002 to 0.016 mu g/mL and no hemolytic activity up to 512 mu g/mL in mammalian erythrocytes was observed. (C) 2009 Elsevier Ltd. All rights reserved.
• Antimycobacterial activity evaluation, time-kill kinetic and 3D-QSAR study of C-(3-aminomethyl-cyclohexyl)-methylamine derivatives
  作者：Deepak Kumar、K. Kranthi Raj、MaiAnn Bailey、Torey Alling、Tanya Parish、Diwan S. Rawat

  DOI：10.1016/j.bmcl.2012.12.083

  日期：2013.3

  A series of C-(3-aminomethyl-cyclohexyl)-methylamine derivatives were synthesized and evaluated for their antitubercular activity. Some of the compounds exhibited potent activity against Mycobacterium tuberculosis H37Rv. One of the compound having t-butyl at para position of the benzene ring showed excellent activity even better than the standard drug ethambutol with MIC value 1.1 +/- 0.2 mu M. The time-kill kinetics study of two most active compounds showed rapid killing of the M. tuberculosis within 4 days. Additionally atom-based quantitative structure-activity relationship (QSAR) model was developed that gave a statistically satisfying result (R-2) = 0.92, Q(2) = 0.75, Pearson-R = 0.96 and effectively predicts the anti-tuberculosis activity of training and test set compounds. (c) 2012 Elsevier Ltd. All rights reserved.