N,N-二甲基-6-吡啶-2-基吡啶-2-硫代甲酰胺 | 78797-04-3

• 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
• 中文名称: N,N-二甲基-6-吡啶-2-基吡啶-2-硫代甲酰胺
• 英文名称: 2,2'-bipyridyl-6-N,N-dimethylcarbothioamide
• 英文别名: N,N-Dimethyl-[2,2'-bipyridine]-6-carbothioamide；N,N-dimethyl-6-pyridin-2-ylpyridine-2-carbothioamide
• CAS: 78797-04-3
• 化学式: C₁₃H₁₃N₃S
• 分子量: 243.332
• InChiKey: LYYIAEHXIMCXNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  61.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,2′-二吡啶基 N-氧化物 在 硫化氢 、 苯甲酰氯 作用下， 以 乙醇 、 水 为溶剂， 生成 N,N-二甲基-6-吡啶-2-基吡啶-2-硫代甲酰胺
  参考文献：
  名称：

  N*-N*-S* Tridentate ligand system as potential antitumor agents

  摘要：

  Compounds containing an N*-N*-S* tridentate ligand were synthesized and tested for antitumor activity against P-388 lymphocytic leukemia in mice. Of these, only 2,2'-bipyridyl-6-carbothioamide (1a) showed antitumor activity at relatively high dosage levels. Compound 1a was also evaluated against L-1210 and S180 cells in culture and found to have significant activity.

  DOI：

  10.1021/jm00142a012

文献信息

• ANTONINI, I.;CLAUDI, F.;CRISTALLI, G.;FRANCHETTI, P.;GRIFANTINI, M.;MARTE+, J. MED. CHEM., 1981, 24, N 10, 1181-1184
  作者：ANTONINI, I.、CLAUDI, F.、CRISTALLI, G.、FRANCHETTI, P.、GRIFANTINI, M.、MARTE+

  DOI：——

  日期：——
• N*-N*-S* Tridentate ligand system as potential antitumor agents
  作者：Ippolito Antonini、Francesco Claudi、Gloria Cristalli、Palmarisa Franchetti、Mario Grifantini、Sante Martelli

  DOI：10.1021/jm00142a012

  日期：1981.10

  Compounds containing an N*-N*-S* tridentate ligand were synthesized and tested for antitumor activity against P-388 lymphocytic leukemia in mice. Of these, only 2,2'-bipyridyl-6-carbothioamide (1a) showed antitumor activity at relatively high dosage levels. Compound 1a was also evaluated against L-1210 and S180 cells in culture and found to have significant activity.