4-(4-chlorophenyl)-5-cyano-2-methyl-N-(4-methylphenyl)-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]sulfanylpyridine-3-carboxamide | 1125735-70-7

• 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-(4-chlorophenyl)-5-cyano-2-methyl-N-(4-methylphenyl)-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]sulfanylpyridine-3-carboxamide
• CAS: 1125735-70-7
• 化学式: C₂₆H₂₄ClN₃O₅S
• 分子量: 526.013
• InChiKey: VNIJIUYXOOPDIA-KRLMVVBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(4-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyloxan-3-yl] acetate 在 甲醇 、 氨 作用下， 以78%的产率得到4-(4-chlorophenyl)-5-cyano-2-methyl-N-(4-methylphenyl)-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]sulfanylpyridine-3-carboxamide
  参考文献：
  名称：

  Direct Route to Novel 2-(β-D-Xylo- and Arabinopyranosylthio) Dihydropyridine Glycosides and Their Corresponding Dehydrogenated Forms

  摘要：

  A novel method for preparation of a new class of dihydropyridine thioglycosides and their corresponding dehydrogenated forms via reaction of piperidinium salts of dihydropyridinethiones with 2,3,4-tri-O-acetyl-alpha-D-xylo- and beta-D-arabinopyranosyl bromides has been studied.

  DOI：

  10.1080/00397910802379199

文献信息

• Direct Route to Novel 2-(β-D-Xylo- and Arabinopyranosylthio) Dihydropyridine Glycosides and Their Corresponding Dehydrogenated Forms
  作者：G. H. Elgemeie、E. H. Eltamny、I. I. Elgawad、N. M. Mahmoud

  DOI：10.1080/00397910802379199

  日期：2009.1.13

  A novel method for preparation of a new class of dihydropyridine thioglycosides and their corresponding dehydrogenated forms via reaction of piperidinium salts of dihydropyridinethiones with 2,3,4-tri-O-acetyl-alpha-D-xylo- and beta-D-arabinopyranosyl bromides has been studied.