1-isonicotinoyl-4-phenethyl-thiosemicarbazide | 13921-63-6

• 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: 1-isonicotinoyl-4-phenethyl-thiosemicarbazide
• 英文别名: 4-Phenethyl-1-isonicotinoyl-thiosemicarbazid；N-(2-phenylethyl)-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide；1-(2-phenylethyl)-3-(pyridine-4-carbonylamino)thiourea
• CAS: 13921-63-6
• 化学式: C₁₅H₁₆N₄OS
• 分子量: 300.384
• InChiKey: LUAHAGZJVNVXKX-UHFFFAOYSA-N

物化性质

• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  98.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-isonicotinoyl-4-phenethyl-thiosemicarbazide 在 sodium hydroxide 作用下， 反应 4.0h， 以60%的产率得到4-(phenethyl)-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-thione
  参考文献：
  名称：

  Synthesis and structure elucidation of some new thioether derivatives of 1,2,4-triazoline-3-thiones and their antimicrobial activities

  摘要：

  5-(4-Pyridinyl)-4-substituted-2,4-dihydro-3H-1,2,4-triazole-3-thiones and 5-(4-pyridinyl)-4-substituted-3-(benzoylmethyl)thio 4H-1,2,4-triazoles were synthesized. The structures of original nine compounds were confirmed by IR, H-1 NMR, mass spectral methods and elemental analysis. The antibacterial, antifungal and antimycobacterial activities, together with those of known intermediate 1,4-disubstituted thiosemicarbazides, were reported. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01167-3
• 作为产物：
  描述：

  异烟肼 、 2-苯基乙基异硫代氰酸酯 以 乙醇 为溶剂， 反应 3.0h， 生成 1-isonicotinoyl-4-phenethyl-thiosemicarbazide
  参考文献：
  名称：

  Synthesis and structure elucidation of some new thioether derivatives of 1,2,4-triazoline-3-thiones and their antimicrobial activities

  摘要：

  5-(4-Pyridinyl)-4-substituted-2,4-dihydro-3H-1,2,4-triazole-3-thiones and 5-(4-pyridinyl)-4-substituted-3-(benzoylmethyl)thio 4H-1,2,4-triazoles were synthesized. The structures of original nine compounds were confirmed by IR, H-1 NMR, mass spectral methods and elemental analysis. The antibacterial, antifungal and antimycobacterial activities, together with those of known intermediate 1,4-disubstituted thiosemicarbazides, were reported. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01167-3

文献信息

• <i>In silico</i> design, synthesis and antitubercular activity of novel 2-acylhydrazono-5-arylmethylene-4-thiazolidinones as enoyl-acyl carrier protein reductase inhibitors
  作者：Serap İpek Dingiş Birgül、Jyothi Kumari、Rasoul Tamhaev、Lionel Mourey、Christian Lherbet、Dharmarajan Sriram、Atilla Akdemir、İlkay Küçükgüzel

  DOI：10.1080/07391102.2024.2319678

  日期：——

  Mycobacteria regulate the synthesis of mycolic acid through the fatty acid synthase system type 1 (FAS I) and the fatty acid synthase system type-2 (FAS-II). Because mammalian cells exclusively uti...

  分枝杆菌通过 1 型脂肪酸合酶系统 (FAS I) 和 2 型脂肪酸合酶系统 (FAS-II) 调节分枝菌酸的合成。因为哺乳动物细胞专门利用...
• Synthesis and structure elucidation of some new thioether derivatives of 1,2,4-triazoline-3-thiones and their antimicrobial activities
  作者：N.N Gülerman、H.N Doğan、S Rollas、C Johansson、C Çelik

  DOI：10.1016/s0014-827x(01)01167-3

  日期：2001.12

  5-(4-Pyridinyl)-4-substituted-2,4-dihydro-3H-1,2,4-triazole-3-thiones and 5-(4-pyridinyl)-4-substituted-3-(benzoylmethyl)thio 4H-1,2,4-triazoles were synthesized. The structures of original nine compounds were confirmed by IR, H-1 NMR, mass spectral methods and elemental analysis. The antibacterial, antifungal and antimycobacterial activities, together with those of known intermediate 1,4-disubstituted thiosemicarbazides, were reported. (C) 2001 Elsevier Science S.A. All rights reserved.