9-benzyl-2,3-dihydro-1,3-dimethyl-6-hydroxypyrimido<2,1-f>purine-4,8(1H,9H)-dione | 114748-09-3

• 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: 9-benzyl-2,3-dihydro-1,3-dimethyl-6-hydroxypyrimido<2,1-f>purine-4,8(1H,9H)-dione
• 英文别名: 9-benzyl-2,3-dihydro-1,3-dimethyl-6-(hydroxy)pyrimido[2,1-f]purine-4,8(1H,9H)-dione
• CAS: 114748-09-3
• 化学式: C₁₇H₁₇N₅O₃
• 分子量: 339.354
• InChiKey: NLETYULTNLAATQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  83.08
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  9-benzyl-2,3-dihydro-1,3-dimethyl-6-hydroxypyrimido<2,1-f>purine-4,8(1H,9H)-dione 生成 9-benzyl-1,3-dimethyl-6-(hydroxy)pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione
  参考文献：
  名称：

  SOLOMON, DANIEL M.;KAMINSKI, JAMES J.;CONN, DAVID J.

  摘要：

  DOI：
• 作为产物：
  描述：

  9-benzyl-1,3-dimethyl-6-(hydroxy)pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione 在 ammonium sulfate 、 锂硼氢 作用下， 以 1,4-二氧六环 、 氯仿 为溶剂， 生成 9-benzyl-2,3-dihydro-1,3-dimethyl-6-hydroxypyrimido<2,1-f>purine-4,8(1H,9H)-dione
  参考文献：
  名称：

  Regiospecific reduction of the 2-carbonyl group of the 6-hydroxypyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione system by selected metal hydrides. A novel reduction of a fused xanthine nucleus

  摘要：

  DOI：

  10.1021/jo00249a023

文献信息

• 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。
• Antiinflammatory activity of a series of substituted 2,3-dihydro-6-hydroxypyrimido[2,1-f]purine-4,8(1H,9H)-diones
  作者：James J. Kaminski、Daniel M. Solomon、David J. Conn、Shing Chun Wong、P. J. S. Chiu、Tobias Massa、Marvin I. Siegel、Arthur S. Watnick

  DOI：10.1021/jm00125a029

  日期：1989.5

  A series of substituted analogues based on the novel 2,3-dihydro-6-hydroxypyrimido[2,1-f]purine-4,8(1H,9H)-dione ring system have been synthesized and shown to exhibit antiinflammatory activity in the adjuvant-induced arthritis rat model (AAR). The activity exhibited by the pyrimidopurinediones in this model of chronic inflammation is comparable to that of their previously studied 2-oxo congeners,

  合成了一系列基于新型2,3-二氢-6-羟基嘧啶[2,1-f]嘌呤-4,8（1H，9H）-二酮环系统的取代类似物，并显示出在其中的抗炎活性。佐剂性关节炎大鼠模型（AAR）。嘧啶嘌呤二酮在这种慢性炎症模型中表现出的活性与其先前研究的2-氧代同类物6-羟基嘧啶[2,1-f]嘌呤-2,4,8-（1H，3H，9H）相当）-三酮类药物，其最好的效力水平大约等于萘普生。基于其在AAR分析中的功效，9-苄基-2,3-二氢-1,3-二甲基-6-羟基-7-（3-甲基-2-丁烯基）嘧啶基-[2,1-f选择]嘌呤-4,8（1H，9H）-二酮进行进一步评估，发现其在体外大鼠中性粒细胞模型中表现出环氧合酶抑制活性。
• 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。
• KAMINSKI, JAMES J.;SOLOMON, DANIEL M.;CONN, DAVID J.;WONG, SHING-CHUN;CHI+, J. MED. CHEM., 32,(1989) N, C. 1118-1127
  作者：KAMINSKI, JAMES J.、SOLOMON, DANIEL M.、CONN, DAVID J.、WONG, SHING-CHUN、CHI+

  DOI：——

  日期：——