5-(1,3-benzodioxo1-5-yl)-1,3-dimethyl-5,11-dihydro-1H-indeno-[2′,1′:5,6]pyrido[2,3-d]pyrimidine-2,4,6-trione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 5-(1,3-benzodioxo1-5-yl)-1,3-dimethyl-5,11-dihydro-1H-indeno-[2′,1′:5,6]pyrido[2,3-d]pyrimidine-2,4,6-trione
• 英文别名: 5-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-5,11-dihydro-1H-indeno-[2’,1’:5,6]pyrido[2,3-d]pyrimidine-2,4,6-trione；2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
• 化学式: C₂₃H₁₇N₃O₅
• 分子量: 415.405
• InChiKey: WYIMAOMISTUFTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-茚满二酮 、 胡椒醛 、 1,3-二甲基-6-氨基脲嘧啶 在 溶剂黄146 作用下， 反应 0.67h， 以73%的产率得到5-(1,3-benzodioxo1-5-yl)-1,3-dimethyl-5,11-dihydro-1H-indeno-[2′,1′:5,6]pyrido[2,3-d]pyrimidine-2,4,6-trione
  参考文献：
  名称：

  作为有效的止泻药的吡啶嘧啶的合成和药理筛选，通过抑制环核苷酸的积累。

  摘要：

  肠上皮细胞中环状核苷酸（cGMP和cAMP）水平的升高触发了细胞内离子和液体分泌进入管腔的细胞内机制，从而导致分泌性腹泻。衍生自5-（3,5-双三氟甲基苯基）-1,3-二甲基-5,11-二氢-1H-茚并[2,1：5,6]吡啶基[2,3-d]嘧啶-2的十二个新颖的嘧啶嘧啶合成了4,4,6-三酮（FPIPP）并评估了细胞内环核苷酸的积累。所有化合物均对环状核苷酸基础水平或预收缩主动脉环均无影响。分别通过MTT（3-（4,5-二甲基噻唑-2-基）-2-溴5-二苯基四唑鎓）和LDH（乳酸脱氢酶）检测评估的T84细胞中的代谢活性和生存力不受影响。与化合物（50μM）一起孵育。化合物VI几乎消除了STa毒素在T834细胞中诱导的cGMP积累（抑制94％），并显着降低了Juskat细胞中佛司可林诱导的cAMP积累（69％）。化合物VI在兔腹泻的体内模型中具有活性。这些结果促使我们对肠道组织进行显微组织病

  DOI：

  10.1002/open.201900060

文献信息

• Pyridopyrimidines derivatives compounds
  申请人：BIOLAB SANUS FARMACEUTICA LTDA

  公开号：US10280162B2

  公开（公告）日：2019-05-07

  The present invention describes new pyridopyrimidine derivatives compounds with structure represented by General Formula (I): or pharmaceutically acceptable salts thereof, or their mixtures (in any ratio), a pharmaceutical composition containing them, a method for using the new pyridopyrimidine derivatives compounds as inhibitor of the cyclic nucleotide synthesis or as inhibitor of the cAMP and cGMP synthesis, and their uses in the prophylactic and/or curative treatment of diarrhea, colitis and irritable bowel syndrome.

  本发明描述了结构由通式（I）表示的新型吡啶嘧啶衍生物化合物： 或其药学上可接受的盐，或它们的混合物（以任意比例），含有它们的药物组合物，使用新吡啶嘧啶衍生物化合物作为环核苷酸合成抑制剂或作为 cAMP 和 cGMP 合成抑制剂的方法，以及它们在腹泻、结肠炎和肠易激综合征的预防和/或治疗中的用途。
• NEW PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS
  申请人：BIOLAB SANUS FARMACEUTICA LTDA

  公开号：US20180111926A2

  公开（公告）日：2018-04-26

  The present invention describes new pyridopyrimidine derivatives compounds with structure represented by General Formula (I): or pharmaceutically acceptable salts thereof, or their mixtures (in any ratio), a pharmaceutical composition containing them, a method for using the new pyridopyrimidine derivatives compounds as inhibitor of the cyclic nucleotide synthesis or as inhibitor of the cAMP and cGMP synthesis, and their uses in the prophylactic and/or curative treatment of diarrhea, colitis and irritable bowel syndrome.
• PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS
  申请人：BIOLAB SANUS FARMACEUTICA LTDA

  公开号：US20190218216A1

  公开（公告）日：2019-07-18

  The present invention describes new pyridopyrimidine derivatives compounds with structure represented by General Formula (I): or pharmaceutically acceptable salts thereof, or their mixtures (in any ratio), a pharmaceutical composition containing them, a method for using the new pyridopyrimidine derivatives compounds as inhibitor of the cyclic nucleotide synthesis or as inhibitor of the cAMP and cGMP synthesis, and their uses in the prophylactic and/or curative treatment of diarrhea, colitis and irritable bowel syndrome.