N'-[(Z)-(1H-indol-3-yl)methylidene]pyridine-4-carbohydrazide | 1322025-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N'-[(Z)-(1H-indol-3-yl)methylidene]pyridine-4-carbohydrazide
• 英文别名: N-[(Z)-1H-indol-3-ylmethyleneamino]pyridine-4-carboxamide；N-[(Z)-1H-indol-3-ylmethylideneamino]pyridine-4-carboxamide
• CAS: 1322025-24-0
• 化学式: C₁₅H₁₂N₄O
• 分子量: 264.286
• InChiKey: YRXIZOPHHNNLIT-ZDLGFXPLSA-N

物化性质

• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N'-[(Z)-(1H-indol-3-yl)methylidene]pyridine-4-carbohydrazide 在 sodium hydroxide 、 zinc(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N-[2-{1-[(4-chlorobenzene)sulfonyl]-1H-indol-3-yl}-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
  参考文献：
  名称：

  Synthesis, Characterization, Computational, Antimicrobial Screening, and MTT Assay of Thiazolidinone Derivatives Containing the Indole and Pyridine Moieties

  摘要：

  A series of novel 2-{[1-(arenesulfonyl)-1H-indol-3-yl]-4-oxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide derivatives was designed and calculate for their computational properties like physicochemical parameters and bioactivity score. Bioactive compounds 1-8, were then synthesized, Characterized by various spercoscopic techniques and assessed for antibacterial activity against S. aureus, S. epidermidis, P. mirabilis, and E. coli. The percent viability of the cells was carried out by MTT assay using HepG2 cells. The results for antibacterial activity were observed in strong recommendation with the computation results. The synthesized compounds were found to portray better activity and lower cytotoxicity when compared to the standard drug Ciprofloxacin.

  DOI：

  10.1134/s1070363218100213
• 作为产物：
  描述：

  3-吲哚甲醛 、 异烟肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 N'-[(Z)-(1H-indol-3-yl)methylidene]pyridine-4-carbohydrazide
  参考文献：
  名称：

  Synthesis, Characterization, Computational, Antimicrobial Screening, and MTT Assay of Thiazolidinone Derivatives Containing the Indole and Pyridine Moieties

  摘要：

  A series of novel 2-{[1-(arenesulfonyl)-1H-indol-3-yl]-4-oxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide derivatives was designed and calculate for their computational properties like physicochemical parameters and bioactivity score. Bioactive compounds 1-8, were then synthesized, Characterized by various spercoscopic techniques and assessed for antibacterial activity against S. aureus, S. epidermidis, P. mirabilis, and E. coli. The percent viability of the cells was carried out by MTT assay using HepG2 cells. The results for antibacterial activity were observed in strong recommendation with the computation results. The synthesized compounds were found to portray better activity and lower cytotoxicity when compared to the standard drug Ciprofloxacin.

  DOI：

  10.1134/s1070363218100213

文献信息

• Small molecule immunopotentiators and assays for their detection
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP2583678A2

  公开（公告）日：2013-04-24

  The invention provides immunostimulatory compositions comprising a small molecule immuno-potentiator (SMIP) compound and methods of administration thereof. Also provided are methods of administering a SMIP compound in an effective amount to enhance the immune response of a subject to an antigen. Further provided are novel compositions and methods of administering SMIP compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma. In a further aspect, the invention relates generally to methods of screening for small molecule immuno-modulatory compositions.

  本发明提供了包含小分子免疫促进剂（SMIP）化合物的免疫刺激组合物及其施用方法。还提供了施用有效量的 SMIP 化合物以增强受试者对抗原的免疫应答的方法。本发明还提供了单独施用 SMIP 化合物或与另一种制剂联合施用 SMIP 化合物以治疗癌症、传染性疾病和/或过敏/哮喘的新型组合物和方法。在另一方面，本发明一般涉及筛选小分子免疫调节组合物的方法。
• Synthesis, Characterization, Computational, Antimicrobial Screening, and MTT Assay of Thiazolidinone Derivatives Containing the Indole and Pyridine Moieties
  作者：M. Arshad、M. Shoeb Khan、S. A. Asghar Nami、D. Ahmad

  DOI：10.1134/s1070363218100213

  日期：2018.10

  A series of novel 2-[1-(arenesulfonyl)-1H-indol-3-yl]-4-oxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide derivatives was designed and calculate for their computational properties like physicochemical parameters and bioactivity score. Bioactive compounds 1-8, were then synthesized, Characterized by various spercoscopic techniques and assessed for antibacterial activity against S. aureus, S. epidermidis, P. mirabilis, and E. coli. The percent viability of the cells was carried out by MTT assay using HepG2 cells. The results for antibacterial activity were observed in strong recommendation with the computation results. The synthesized compounds were found to portray better activity and lower cytotoxicity when compared to the standard drug Ciprofloxacin.