4-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)butylamine | 1240470-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)butylamine
• 英文别名: 4-(5-Pyridin-2-yltetrazol-2-yl)butan-1-amine
• CAS: 1240470-69-2
• 化学式: C₁₀H₁₄N₆
• 分子量: 218.261
• InChiKey: JGWOVPVPGSYEAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-3a-carbonochloridoyl-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate 、 4-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)butylamine 以 二氯甲烷 为溶剂， 以87%的产率得到3-O-acetyl-23-acetoxy-N-[4-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)butyl]betulinic amide
  参考文献：
  名称：

  Synthesis and antiproliferative evaluation of 23-hydroxybetulinic acid derivatives

  摘要：

  Based on structural modifications of the natural 23-hydroxybetulinic acid, a series of novel its derivatives had been synthesized. The new compounds were screened for in vitro antiproliferative activity against cancer cell lines HeLa, MCF-7, HepG2. B16 and A375 using doxorubicin as a reference. The vast majority of derivatives had exhibited potent tumor growth inhibitory activity than original compound. The derivatives 4, 5, 7, 20, 23, 26, 43 and 44 with IC50 values lower than 10 mu M on all tested cell lines were regarded as the most promising compounds. The structure activity relationships of 23-hydroxybetulinic acid derivatives were also discussed in the present investigations. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.038
• 作为产物：
  描述：

  2-(4-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)butyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 6.0h， 以87%的产率得到4-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)butylamine
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel ketolides bearing an aryltetrazolyl-substituted alkyl side chain

  摘要：

  合成了一组17种新型酮类抗生素，具有取代芳基四氮唑的烷基侧链，并评估了它们的抗菌活性。芳基四氮唑基团的选择是为了替代泰利霉素侧链中的杂芳基，旨在设计新的化合物。详细报告了芳基四氮唑烷基胺的合成过程。新型酮类抗生素的抗菌活性是针对包括大环内酯耐药菌在内的多种病原体进行评估，使用泰利霉素作为参考。许多评估的化合物对包括金黄色葡萄球菌（除了 S. aureus AD-08）、绿脓杆菌和大肠杆菌在内的红霉素敏感菌和红霉素耐药菌表现出显著的抗菌活性。在这些化合物中，化合物11e与其他化合物相比，显示出对所有菌株的极佳抗菌效能。

  DOI：

  10.1038/ja.2011.50

文献信息

• Synthesis and antiproliferative evaluation of 23-hydroxybetulinic acid derivatives
  作者：Ping Lan、Jiao Wang、Dong-Mei Zhang、Chang Shu、Hui-Hui Cao、Ping-Hua Sun、Xiao-Ming Wu、Wen-Cai Ye、Wei-Min Chen

  DOI：10.1016/j.ejmech.2011.03.038

  日期：2011.6

  Based on structural modifications of the natural 23-hydroxybetulinic acid, a series of novel its derivatives had been synthesized. The new compounds were screened for in vitro antiproliferative activity against cancer cell lines HeLa, MCF-7, HepG2. B16 and A375 using doxorubicin as a reference. The vast majority of derivatives had exhibited potent tumor growth inhibitory activity than original compound. The derivatives 4, 5, 7, 20, 23, 26, 43 and 44 with IC50 values lower than 10 mu M on all tested cell lines were regarded as the most promising compounds. The structure activity relationships of 23-hydroxybetulinic acid derivatives were also discussed in the present investigations. (C) 2011 Elsevier Masson SAS. All rights reserved.
• Design, synthesis and antibacterial activity of novel ketolides bearing an aryltetrazolyl-substituted alkyl side chain
  作者：Qiu-Ling Song、Bao-Qin Guo、Wen Zhang、Ping Lan、Ping-Hua Sun、Wei-Min Chen

  DOI：10.1038/ja.2011.50

  日期：2011.8

  A set of 17 novel ketolides bearing an aryltetrazolyl-substituted alkyl side chain were synthesized and evaluated for their antibacterial activities, which the aryltetrazolyl group was selected to replace the hetero-aryl moiety of the side chain in telithromycin for designing new compounds. The synthesis of aryltetrazolyl alkylamines was reported in detail. The antibacterial activities of new ketolides were evaluated against a number of pathogens including macrolide-resistant organisms by using telithromycin as the reference. Many of the evaluated compounds exhibited remarkable activities against both erythromycin-susceptible and erythromycin-resistant organisms such as Staphylococcus aureus (except S. aureus AD-08), Pseudomonas aeruginosa and Escherichia coli. Among these, the compound 11e exhibited excellent antibacterial potency against all the strains in comparison with others.

  合成了一组17种新型酮类抗生素，具有取代芳基四氮唑的烷基侧链，并评估了它们的抗菌活性。芳基四氮唑基团的选择是为了替代泰利霉素侧链中的杂芳基，旨在设计新的化合物。详细报告了芳基四氮唑烷基胺的合成过程。新型酮类抗生素的抗菌活性是针对包括大环内酯耐药菌在内的多种病原体进行评估，使用泰利霉素作为参考。许多评估的化合物对包括金黄色葡萄球菌（除了 S. aureus AD-08）、绿脓杆菌和大肠杆菌在内的红霉素敏感菌和红霉素耐药菌表现出显著的抗菌活性。在这些化合物中，化合物11e与其他化合物相比，显示出对所有菌株的极佳抗菌效能。