1,3-Dimethyl-9-benzyl-6-methoxy-7-(n-propyl)-pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione | 91285-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1,3-Dimethyl-9-benzyl-6-methoxy-7-(n-propyl)-pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione
• 英文别名: 9-benzyl-6-methoxy-7-(1-propyl)pyrimide<2,1-f>purine-2,4,8(1H,3H,9H)-trione；1,3-Dimethyl-9-benzyl-6-methoxy-7-(n-propyl) pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione；1,3-Dimethyl-9-benzyl-6-methoxy-7-(n-propyl)pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione；1,3-Dimethyl-6-methoxy-9-benzyl-7-n-propyl-9H-8-oxopyrimido[2,1-f]purine-2,4-dione；9-benzyl-6-methoxy-7-(1-propyl)pyrimide[2,1-f]purine-2,4,8(1H,3H,9H)-trione；9-benzyl-6-methoxy-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione
• CAS: 91285-49-3
• 化学式: C₂₁H₂₃N₅O₄
• 分子量: 409.445
• InChiKey: DMBZMRXCAMCNAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  88
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙基丙二酸二乙酯 以 乙醚 、 氯仿 为溶剂， 反应 15.0h， 生成 1,3-Dimethyl-9-benzyl-6-methoxy-7-(n-propyl)-pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione
  参考文献：
  名称：

  Solomon, Daniel M.; Conn, David J.; Wong, Shing-Chun, Heterocycles, 1986, vol. 24, # 8, p. 2179 - 2194

  摘要：

  DOI：

文献信息

• Anti-inflammatory substituted 9H-8-oxo-pyrimido[2,1-f]purine-2,4-diones
  申请人：Schering Corporation

  公开号：US04569936A1

  公开（公告）日：1986-02-11

  Substituted 9H-8-oxo-pyrimido[2,1-f]purine-2,4-diones their tautomers and salts are anti-inflammatory agents. Methods for their preparation and use are described.

  Substituted 9H-8-oxo-pyrimido[2,1-f]purine-2,4-diones及其互变异构体和盐是抗炎药物。描述了它们的制备和使用方法。
• Anti-inflammatory and anti-allergic
  申请人：Schering Corporation

  公开号：US04666914A1

  公开（公告）日：1987-05-19

  Substituted 2,3-dihydro-6-(hydroxy)pyrimido[2,1-f]purine-4,8(1H,9H)-diones their tautomers and salts, are anti-inflammatory and anti-allergy agents. Methods for their preparation and use are described.

  2,3-二氢-6-(羟基)嘧啶并[2,1-f]嘌呤-4,8(1H,9H)-二酮及其互变异构体和盐，是抗炎和抗过敏剂。描述了其制备和使用方法。
• Method of treating hyperploliferative skin disease with
  申请人：Schering Corporation

  公开号：US04816458A1

  公开（公告）日：1989-03-28

  Substituted 2,3-dihydro-6-substituted-pyrimido[2,1-f]purine-4,8(1H,9H)-diones, their tautomers and salts, are disclosed for use as antihyperproliferative skin disease agents. Methods for their preparation and use are described.

  已披露用作抗高增殖性皮肤疾病药物的取代的2,3-二氢-6-取代嘧啶并[2,1-f]嘌呤-4,8(1H,9H)-二酮，它们的互变异构体和盐。描述了它们的制备和使用方法。
• Substituted-2,3-dihydro-6-substituted-pyrimido[2,1-F]-purine-
  申请人：Schering Corporation

  公开号：US04847377A1

  公开（公告）日：1989-07-11

  Substituted 2,3-dihydro-6-substituted-pyrimido[2,1-f]purine-4,8(1H, 9H)-diones, their tautomers and salts, are disclosed for use as antihyperproliferative skin disease agents. Methods for their preparation and use are described.

  本发明揭示了用作抗过度增生皮肤疾病药物的2,3-二氢-6-取代嘧啶并[2,1-f]嘌呤-4,8(1H,9H)-二酮及其互变异构体和盐。描述了其制备和使用的方法。
• Substituted 9H-8-oxo-pyrimido(2,1-f)purine-2,4-diones, process for their production and pharmaceutical compositions containing them
  申请人：SCHERING CORPORATION

  公开号：EP0107165A1

  公开（公告）日：1984-05-02

  The new compounds are compounds of formula (I) and its tautomer and the pharmaceutically acceptable salts thereof, wherein R1 and R2 are the same or different and are hydrogen, alkyl, cycloalkyl, alkenyl, alkynyl, aryl; alkyl substituted by cycloalkyl, aryl or heterocyclic radical; R3 is hydrogen, alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, acyloxyalkyl, oxoalkyl, aryl; alkyl substituted by cycloalkyl, cycloalkenyl, aryl, hydroxy, cyano, halo or heterocyclic radical; -alkyl-X-CnH2n-1 wherein X is O,S,S+-O-, S02 or-N-CpH2p-1; -(CH2)qC(O)NR6R7 or-(CH2) C(O)OR8, R4 is hydrogen, alkyl, aryl, a heterocyclic radical; or alkyl substituted by cycloalkyl aryl or a heterocyclic radical; R5 is hydrogen acyl, or alkyl. These compounds are useful as antiinflammatory agents for treating inflammatory conditions such as arthritis, spondyiitis, and tendonitis in mammals.

  新化合物为式 (I) 及其同分异构体和它们的药学上可接受的盐，其中 R1 和 R2 相同或不同，并且是氢、烷基、环烷基、烯基、炔基、芳基；被环烷基、芳基或杂环基取代的烷基； R3 是氢、烷基、环烷基、烯基、环烯基、炔基、酰氧基烷基、氧代烷基、芳基； 被环烷基、环烯基、芳基、羟基、氰基、卤代基或杂环基取代的烷基；-alkyl-X-CnH2n-1 其中 X 是 O、S、S+-O-、S02 或-N-CpH2p-1；-(CH2)qC(O)NR6R7 或-(CH2) C(O)OR8、 R4 是氢、烷基、芳基、杂环基；或被环烷基芳基或杂环基取代的烷基； R5 是氢酰基或烷基。 这些化合物可作为抗炎剂用于治疗哺乳动物的关节炎、脊柱炎和肌腱炎等炎症。