4-(6-乙酰基-1,3,7-三甲基-2,4-二氧代-1,2,3,4,5,8-六氢吡啶并[2,3-d]嘧啶)苯甲酸 | 848029-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 4-(6-乙酰基-1,3,7-三甲基-2,4-二氧代-1,2,3,4,5,8-六氢吡啶并[2,3-d]嘧啶)苯甲酸
• 英文名称: 4-(6-Acetyl-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-D]pyrimidin-5-YL)benzoic acid
• 英文别名: 4-(6-acetyl-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidin-5-yl)benzoic acid
• CAS: 848029-08-3
• 化学式: C₁₉H₁₉N₃O₅
• 分子量: 369.377
• InChiKey: HMXOIDYLHTUBGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-二甲基-6-氨基脲嘧啶 、 对醛基苯甲酸 、 乙酰丙酮 在 溶剂黄146 作用下， 反应 8.0h， 生成 4-(6-乙酰基-1,3,7-三甲基-2,4-二氧代-1,2,3,4,5,8-六氢吡啶并[2,3-d]嘧啶)苯甲酸
  参考文献：
  名称：

  Dihydropyrido[2,3-d]pyrimidines as a new class of antileishmanial agents

  摘要：

  A series of dihydropyrido[2,3-d]pyrimidines have been synthesized and screened for its in vitro antileishmanial activity profile in promastigote and amastigote models. Compounds 2a-2l have shown 83-100% inhibition against promastigotes and 79-100% inhibition against amastigotes at a concentration of 50 mu g/mL. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.07.043

文献信息

• Solid supported synthesis of structurally diverse dihydropyrido[2,3-d]pyrimidines using microwave irradiation
  作者：Anu Agarwal、Prem M.S. Chauhan

  DOI：10.1016/j.tetlet.2004.12.109

  日期：2005.2

  We have synthesized a library of 16 dihydropyrido[2,3-d]pyrimidines in high yields (82-92%) on solid support using microwave irradiation. (C) 2004 Elsevier Ltd. All rights reserved.
• Dihydropyrido[2,3-d]pyrimidines as a new class of antileishmanial agents
  作者：Anu Agarwal、Ramesh、Ashutosh、Neena Goyal、Prem M.S. Chauhan、Suman Gupta

  DOI：10.1016/j.bmc.2005.07.043

  日期：2005.12

  A series of dihydropyrido[2,3-d]pyrimidines have been synthesized and screened for its in vitro antileishmanial activity profile in promastigote and amastigote models. Compounds 2a-2l have shown 83-100% inhibition against promastigotes and 79-100% inhibition against amastigotes at a concentration of 50 mu g/mL. (c) 2005 Elsevier Ltd. All rights reserved.