1,3-Dimethyl-5-hydroxypyrido<2,3-d>pyrimidin-2,4,7(1,3,8H)-trione | 93117-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1,3-Dimethyl-5-hydroxypyrido<2,3-d>pyrimidin-2,4,7(1,3,8H)-trione
• 英文别名: pyrido[2,3-d]pyrimidinetrione；1,3-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetraone；5-hydroxy-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione；5-Hydroxy-1.3-dimethyl-pyrido<2.3-d>pyrimidin-2.4.7-1H.3H.8H-trion；7-Hydroxy-1,3-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,5-trione；5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
• CAS: 93117-36-3
• 化学式: C₉H₉N₃O₄
• 分子量: 223.188
• InChiKey: CGXDXPOTZXCKEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-Dimethyl-5-hydroxypyrido<2,3-d>pyrimidin-2,4,7(1,3,8H)-trione 在 硫酸 、 硝酸 作用下， 反应 1.0h， 以83%的产率得到1,3-dimethyl-5,7-dihydroxy-6-nitro-1,2,3,4-tetrahydropyrido<2,3-d>pyrimidine-2,4-dione
  参考文献：
  名称：

  吡啶并[2,3-d]嘧啶4.氧代（羟基）吡啶并[2,3-d]嘧啶的合成及一些转化

  摘要：

  DOI：

  10.1007/bf00474003
• 作为产物：
  描述：

  6-azido-1,3-dimethyluracil 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二苯醚 为溶剂， 反应 1.5h， 生成 1,3-Dimethyl-5-hydroxypyrido<2,3-d>pyrimidin-2,4,7(1,3,8H)-trione
  参考文献：
  名称：

  Pyrido[2,3-d]pyrimidines, II. One step synthesis of pyrido[2,3-d]pyrimidines and pyrimido[4,5-b]quinolines from 6-amino uracils

  摘要：

  Reduction of 6-azidouracils 2 with hydrogen palladium or sodium dithionite afforded the corresponding 6-aminouracils 5 which could also be obtained by reaction of 2 with triphenylphosphane via phosphazenes and subsequent hydrolysis (Staudinger reaction). The use of trimethylphosphite instead of phosphanes yields with 2b the expected trimethoxyphosphazene 3c, whereas 2a reacts to the phosphonoaminopyrimidine 4. The syntheses of 5-hydroxy pyrido[2,3-d]pryimidine-2,4,7-triones 6, pyrido [2,3-d]pyrimidine-2,4,5-triones 8, cyclopenta[e]pyrido[2,3-d]pyrimidin-2,4,5-triones 7a, c, and tetrahydro-pyrimido[4,5-b]quinolin-2,4,5-triones 7b,d by condensation of 6-aminouracils 5 with malonates, ethylaceto/benzoylacetate, ethyl 2-oxocyclopentanecarboxylate and ethyl 2-oxocyclohexanecarboxylate, respectively, are described.

  DOI：

  10.1007/bf00807031

文献信息

• Domino Knoevenagel condensation–Michael addition–cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water
  作者：Somayeh Ahadi、Telma Kamranifard、Mahsa Armaghan、Hamid Reza Khavasi、Ayoob Bazgir

  DOI：10.1039/c3ra45795h

  日期：——

  diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via the reaction of 6-amino-1,3-dimethyl pyrimidine-2,4(1H,3H)-dione, aldehydes and 1-(2-oxo-2-phenylethyl)pyridin-1-ium bromides as a pyridinium ylide base on an organocatalyst assisted domino Knoevenagel condensation–Michael addition–cyclization is investigated. To the best our knowledge, employing 6-amino-1,3-dimethyl pyrimidine-2,4(1H,3H)-dione

  通过6-氨基-1,3-二甲基嘧啶-2,4（1 H，3 H）-二酮，醛和1-（-）的非对映选择性合成二氢呋喃基吡啶并[2,3- d ]嘧啶的绿色方法研究了2-氧代-2-苯基乙基）吡啶-1-溴作为吡啶鎓叶立德在有机催化剂辅助的多米诺骨牌Knoevenagel缩合-迈克尔加成-环化反应中的作用。据我们所知，尚未报道使用6-氨基-1,3-二甲基嘧啶-2,4（1 H，3 H）-二酮合成二氢呋喃基吡啶并[2,3- d ]嘧啶。这种合成可以很好地补充基团辅助纯化（GAP）化学，其中通过 可以避免进行色谱分离和重结晶，只需用乙醇洗涤粗产物即可获得纯产物。
• [EN] PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES FUSIONNÉS À UNE PYRIMIDINE DIONE EN TANT QUE MODULATEURS DE TRPA1
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2010125469A1

  公开（公告）日：2010-11-04

  The present invention is related to novel pyrimidinedione-fused heterocyclic compounds as TRPA (Transient Receptor Potential subfamily A) modulators. In particular, compounds described herein are useful for treating or preventing diseases, conditions and/or disorders modulated by TRPA1 (Transient Receptor Potential subfamily A, member 1). Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders modulated by TRPA1.

  本发明涉及作为TRPA（瞬时受体电位亚家族A）调节剂的新型嘧啶二酮并环杂环化合物。具体地，本文描述的化合物可用于治疗或预防由TRPA1（瞬时受体电位亚家族A，成员1）调节的疾病、症状和/或疾病。本文还提供了用于制备本文描述的化合物的方法、用于合成的中间体、其药物组成物以及治疗或预防由TRPA1调节的疾病、症状和/或疾病的方法。
• Synthesis and biological activity of pyridol[2,3-d]pyrimidines
  作者：I. D. Bystryakova、O. A. Burova、G. M. Chelysheva、S. V. Zhilinkova、N. M. Smirnova、T. S. Safonova

  DOI：10.1007/bf00778976

  日期：1991.12
• Pyrido[2,3-d]pyrimidines Reactions of hydroxypyrido[2,3-d]pyrimidines with thionyl chloride in the presence of DMF
  作者：O. A. Burova、N. M. Smirnova、T. S. Safonova

  DOI：10.1007/bf00531483

  日期：1992.9
• METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1
  申请人：Phusis Therapeutics Inc.

  公开号：EP2931280A2

  公开（公告）日：2015-10-21