LASSBio-1028 | 1189062-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: LASSBio-1028
• 英文别名: N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
• CAS: 1189062-68-7
• 化学式: C₁₃H₁₁N₃O₃
• 分子量: 257.249
• InChiKey: VNTHURXDXWQCLG-VIZOYTHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  75.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  LASSBio-1028 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以86%的产率得到N-methyl(2-pyrrolidene)(3,4-methylenedioxybenzoyl)hydrazine
  参考文献：
  名称：

  Studies towards the identification of putative bioactive conformation of potent vasodilator arylidene N-acylhydrazone derivatives

  摘要：

  In this report we disclose the synthesis, vasodilatory activity, and identification of bioactive conformation of new N-acylhydrazone and N-methyl-N-acylhydrazone derivatives, structurally designed by bioisosteric replacements of previously described cardioactive compounds LASSBio-294 and its N-methyl derivative LASSBio-785. Some of these novel derivatives presented improved vasorelaxant properties, being new cardiovascular drug candidates. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.04.044
• 作为产物：
  描述：

  2-吡咯甲醛 、 3,4-亚甲基二氧苄肼 在 盐酸 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 以88%的产率得到LASSBio-1028
  参考文献：
  名称：

  Studies towards the identification of putative bioactive conformation of potent vasodilator arylidene N-acylhydrazone derivatives

  摘要：

  In this report we disclose the synthesis, vasodilatory activity, and identification of bioactive conformation of new N-acylhydrazone and N-methyl-N-acylhydrazone derivatives, structurally designed by bioisosteric replacements of previously described cardioactive compounds LASSBio-294 and its N-methyl derivative LASSBio-785. Some of these novel derivatives presented improved vasorelaxant properties, being new cardiovascular drug candidates. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.04.044

文献信息

• Studies towards the identification of putative bioactive conformation of potent vasodilator arylidene N-acylhydrazone derivatives
  作者：Arthur E. Kümmerle、Juliana M. Raimundo、Carla M. Leal、Givanildo S. da Silva、Tatiane L. Balliano、Mariano A. Pereira、Carlos A. de Simone、Roberto T. Sudo、Gisele Zapata-Sudo、Carlos A.M. Fraga

  DOI：10.1016/j.ejmech.2009.04.044

  日期：2009.10

  In this report we disclose the synthesis, vasodilatory activity, and identification of bioactive conformation of new N-acylhydrazone and N-methyl-N-acylhydrazone derivatives, structurally designed by bioisosteric replacements of previously described cardioactive compounds LASSBio-294 and its N-methyl derivative LASSBio-785. Some of these novel derivatives presented improved vasorelaxant properties, being new cardiovascular drug candidates. (C) 2009 Elsevier Masson SAS. All rights reserved.