LASSBio-928 | 1138395-15-9

• 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: LASSBio-928
• 英文别名: N-(6-{[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]carbonyl}-1,3-benzodioxol-5-yl)methanesulfonamide；N-[(E)-furan-2-ylmethylideneamino]-6-(methanesulfonamido)-1,3-benzodioxole-5-carboxamide
• CAS: 1138395-15-9
• 化学式: C₁₄H₁₃N₃O₆S
• 分子量: 351.34
• InChiKey: JNDIELOYLLEHHK-VIZOYTHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  糠醛 、 N-[6-(hydrazinylcarbonyl)-1,3-benzodioxol-5-yl]methanesulfonamide 在 盐酸 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以86%的产率得到LASSBio-928
  参考文献：
  名称：

  Novel 6-methanesulfonamide-3,4-methylenedioxyphenyl-N-acylhydrazones: Orally effective anti-inflammatory drug candidates

  摘要：

  We described herein the molecular design of novel in vivo anti-inflammatory 6-methanesulfonamide-3,4-methylenedioxyphenyl-N-acylhydrazone derivatives (1) planned by applying the molecular hybridization approach. This work also points out to the discovery of LASSBio-930 (1c) as a novel anti-inflammatory and anti-hyperalgesic prototype, which was able to reduce carrageenan-induced rat paw edema with an ED50 of 97.8 mu mol/kg, acting mainly as a non-selective COX inhibitor. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.045

文献信息

• Novel 6-methanesulfonamide-3,4-methylenedioxyphenyl-N-acylhydrazones: Orally effective anti-inflammatory drug candidates
  作者：Jorge L.M. Tributino、Carolina D. Duarte、Rodrigo S. Corrêa、Antonio C. Doriguetto、Javier Ellena、Nelilma C. Romeiro、Newton G. Castro、Ana Luisa P. Miranda、Eliezer J. Barreiro、Carlos A.M. Fraga

  DOI：10.1016/j.bmc.2008.12.045

  日期：2009.2

  We described herein the molecular design of novel in vivo anti-inflammatory 6-methanesulfonamide-3,4-methylenedioxyphenyl-N-acylhydrazone derivatives (1) planned by applying the molecular hybridization approach. This work also points out to the discovery of LASSBio-930 (1c) as a novel anti-inflammatory and anti-hyperalgesic prototype, which was able to reduce carrageenan-induced rat paw edema with an ED50 of 97.8 mu mol/kg, acting mainly as a non-selective COX inhibitor. (C) 2009 Elsevier Ltd. All rights reserved.