N,4-bis(4-chlorophenyl)-5-cyano-2-methyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-1,4-dihydropyridine-3-carboxamide | 1125735-48-9

• 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: N,4-bis(4-chlorophenyl)-5-cyano-2-methyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-1,4-dihydropyridine-3-carboxamide
• CAS: 1125735-48-9
• 化学式: C₂₅H₂₃Cl₂N₃O₅S
• 分子量: 548.447
• InChiKey: GIVPXGNNRYLYCK-VHHRDZKGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  160
• 氢给体数：
  5
• 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)-5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]oxan-3-yl] acetate 在 甲醇 、 氨 作用下， 以67%的产率得到N,4-bis(4-chlorophenyl)-5-cyano-2-methyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-1,4-dihydropyridine-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.