Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 3-((5R)-5-(dimethylamino)hexyl)-1,7-dimethyl- | 476623-49-1

• 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: Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 3-((5R)-5-(dimethylamino)hexyl)-1,7-dimethyl-
• 英文别名: 3-[(5R)-5-(dimethylamino)hexyl]-1,7-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
• CAS: 476623-49-1
• 化学式: C₁₇H₂₆N₄O₃
• 分子量: 334.4
• InChiKey: SUIOHJZVZYXEBW-GFCCVEGCSA-N

物化性质

• 沸点：
  449.0±55.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 3-((5R)-5-(dimethylamino)hexyl)-1,7-dimethyl- 、 吡啶 、 三氟甲磺酸酐 在 ice 、 二甲胺 、 四氢呋喃 、 乙酸乙酯 、 碳酸氢钠 、 Sodium sulfate-III 、 silica gel 、 Ethyl acetate methanol triethylamine 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以to afford (R)-1,7-Dimethyl-5-(N,N-dimethylamino)-3-(5-(N,N-dimethylamino)hexyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)dione (300 mg, 88% yield for 2 steps) as an oil的产率得到(R)-1,7-Dimethyl-5-(N,N-dimethylamino)-3-(5-(N,N-dimethylamino)hexyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)dione
  参考文献：
  名称：

  Pyridopyrimidine compounds and their uses

  摘要：

  小说嘧啶并[3,4-d]吡啶基化合物被发现可用于治疗或预防因细胞因子内部信号传导受到影响而引起的疾病或障碍的症状或表现。

  公开号：

  US20040023995A1
• 作为产物：
  描述：

  (R)-8-benzyl-1,7-dimethyl-3-(5-(N,N-dimethylamino)hexyl)pyrido[2,3-d]pyrimidine-2,4,5(1H,3H,8H)-trione 、 氢气 在 钯 溶剂黄146 作用下， 以 溶剂黄146 为溶剂， 反应 18.0h， 以to provide (R)-1,7-dimethyl-3-(5-(N,N-dimethylamino)hexyl)pyrido[2,3-d]pyrimidine-2,4,5(1H,3H,8H)-trione (74 mg, 99% yield) as a beige powder的产率得到Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 3-((5R)-5-(dimethylamino)hexyl)-1,7-dimethyl-
  参考文献：
  名称：

  Pyridopyrimidine compounds and their uses

  摘要：

  小说嘧啶并[3,4-d]吡啶基化合物被发现可用于治疗或预防因细胞因子内部信号传导受到影响而引起的疾病或障碍的症状或表现。

  公开号：

  US20040023995A1

文献信息

• US6825180B2
  申请人：——

  公开号：US6825180B2

  公开（公告）日：2004-11-30
• [EN] PYRIDOPYRIMIDINE COMPOUNDS AND THEIR USES<br/>[FR] COMPOSES DE PYRIDOPYRIMIDINE ET LEURS UTILISATIONS
  申请人：CELL THERAPEUTICS INC

  公开号：WO2002094824A1

  公开（公告）日：2002-11-28

  Novel pyridopyrimidine-based compounds are found to be useful for the treatment or prevention of symptoms or manifestations associated with diseases or disorders affected by cytokine intracellular signaling, having the following formula: formula (I) wherein R1 is selected from a member of the group consisting of hydrogen, hydroxyl, methoxyl, N-OH, acylamino group, cyano group, sulfo, sulfonyl, sulfinyl, sulfhydryl (mercapto), sulfeno, sulfanilyl, sulfamyl, sulfamino, and phosphino, phosphinyl, phospho phosphono and -NRaRb, wherein each of Ra and Rb may be the same or different and each is selected from the group consisting of hydrogen and optionally substituted: C(1-20)alkyl, C(1-20)cycloalkyl, C(1-20)alkenyl, C(1-20)cycloalkenyl, C(1-20)alkynyl, aryl, heteroaryl, and heterocyclic group. R2 and R3 are independently selected from a member of the group consisting of halo, thio, oxo, C(1-20)alkyl, C(1-20)hydroxyalkyl, C(1-20)thioalkyl, C(1-20)alkylthio, C(1-20)alkylamino, C(1-20)alkylaminoalkyl, C(1-20)aminoalkyl, C(1-20)aminoalkoxyalkenyl, C(1-20)aminoalkoxyalkynyl, C(1-20)diaminoalkyl, C(1-20)triaminoalkyl, C(1-20)tetraaminoalkyl, C(1-20)aminotrialkoxyamino, C(1-20)alkylamido, C(1-20)alkylamidoalkyl, C(1-20)amidoalkyl, C(1-20)acetamidoalkyl, C(1-20)alkenyl, C(1-20)alkynyl, C(1-20)alkoxyl, C(1-20)alkoxyalkyl, C(1-20)dialkoxyalkyl, and NraRb. R4 may be hydrogen or an optionally substituted member of the group consisting of C(1-20)alkyl, C(1-20)cycloalkyl, C(1-20)alkenyl, C(1-20)cycloalkenyl, C(1-20)alkynyl, aryl, heteroaryl, and heterocyclic group.