1,5,7-trimethyl-1H-pyrazolo<3,4-b>pyrimidine-4,6(5H,7H)-dione | 4318-52-9

• 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: 1,5,7-trimethyl-1H-pyrazolo<3,4-b>pyrimidine-4,6(5H,7H)-dione
• 英文别名: 1,5,7-trimethyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione；1,5,7-Trimethyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidin-4,6-dion；1,5,7-Trimethyl-4,6-dioxo-4,5,6,7-tetrahydro-pyrazolo<3,4-d>pyrimidin；1,5,7-Trimethyl-1H-pyrazolo(3,4-d)pyrimidin-4,6(5H,7H)dion；1,5,7-Trimethyl-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione；1,5,7-trimethylpyrazolo[3,4-d]pyrimidine-4,6-dione
• CAS: 4318-52-9
• 化学式: C₈H₁₀N₄O₂
• 分子量: 194.193
• InChiKey: QICGQMKSHUEGMW-UHFFFAOYSA-N

物化性质

• 熔点：
  230-231 °C
• 沸点：
  355.5±34.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-azido-1,3-dimethyluracil 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 3.08h， 生成 1,5,7-trimethyl-1H-pyrazolo<3,4-b>pyrimidine-4,6(5H,7H)-dione
  参考文献：
  名称：

  Hirota, Kosaku; Maruhashi, Kazuo; Asao, Tetsuji, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 11, p. 3959 - 3966

  摘要：

  DOI：

文献信息

• Heilmittelchemische Studien in der heterocyclischen Reihe. 25. Mitteilung. Pyrazolo-pyrimidine III Paraxanthin-, Theobromin- und Theophyllin-Analoga der Pyrazolo[3,4-d]pyrimidin-Reihe
  作者：P. Schmidt、K. Eichenberger、J. Dreuey

  DOI：10.1002/hlca.19590420132

  日期：——

  The preparation of the paraxanthine, theobromine and theophylline isomers 1,5-; 2,5- and 1,7-; 2,7- and 5,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydro-pyrazolo[3,4-d]-pyrimidines is described and their structure established. A structurally specific synthesis of the caffeine and isocaffeine isomers 1,5,7- and 2,5,7-trimethyl-4,6- dioxo-4,5,6,7-tetrahydro-pyrazolo [3,4-d]pyrimidines has been realized.

  对黄嘌呤，可可碱和茶碱异构体1，5-的制备；2.5和1.7；描述了2,7-和5,7-二甲基-4,6-二氧代-4,5,6,7-四氢-吡唑并[3,4-d]-嘧啶并确定了它们的结构。咖啡因和异咖啡因异构体1,5,7-和2,5,7-三甲基-4,6-二氧代-4,5,6,7-四氢吡唑并[3,4-d]嘧啶的结构特异性合成实现。
• Preparation of Pyrazolo[3′,4′ : 4,5]pyrido[2,3-<i>d</i>]pyrimidines by the Intramolecular Reaction of Azomethine Imines in a 2,4(1<i>H</i>,3<i>H</i>)-Pyrimidinedione System
  作者：Michihiko Noguchi、Kazuo Yamada

  DOI：10.1055/s-1993-25819

  日期：——

  A facile synthetic route to substituted 6,8-dimethyl-3,3a,4, 5-dihydro-2H-pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidine-] 7,9(6H,8H)-di-ones is described based on an intramolecular azomethine imine cyclization followed by dehydrogenation. The azomethine imine intermediates are given by the thermal 1,2-hydrogen shift of the hydrazones, which are formed from the reaction of 6-allylamino-5-formyl-1, 3-dimethyl-2,4(1H,3H)-pyrimidinediones and hydrazines 2.

  基于分子内氮亚胺环化和脱氢反应，描述了取代的 6,8-二甲基-3,3a,4,5-二氢-2H-吡唑并[3′,4′:4,5]吡啶并[2,3-d]嘧啶-]7,9(6H,8H)-二酮的简便合成路线。偶氮亚胺中间体是由 6-烯丙基氨基-5-甲酰基-1,3-二甲基-2,4(1H,3H)-嘧啶二酮和肼 2 反应生成的肼的 1,2-氢热移给出的。
• Heilmittelchemische Studien in der heterocyclischen Reihe. 22. Mitteilung. Pyrazolo-pyrimidine II. Pyrazolo[3,4-d]pyrimidine mit Koffein-ähnlicher Struktur und Wirkung
  作者：P. Schmidt、K. Eichenberger、J. Druey

  DOI：10.1002/hlca.19580410418

  日期：——

  The preparation of the caffeine isomers 1,5,7- and 2,5,7-trimethyl-4, 6-dioxo-4,5,6,7-tetrahydro-pyrazolo[3,4-d]pyrimidines is described and their structures established. The compounds exhibit diuretic and cardiac activity.

  描述了咖啡因异构体1,5,7-和2,5,7-三甲基-4，6-二氧代-4,5,6,7-四氢-吡唑并[3,4-d]嘧啶的制备方法结构已建立。该化合物表现出利尿和心脏活性。
• NOVEL PHENYLALANINE DERIVATIVES
  申请人：SAGI Kazuyuki

  公开号：US20080108634A1

  公开（公告）日：2008-05-08

  Specific phenylalanine derivatives and analogues thereof have an antagonistic activity to α4 integrin. They are used as therapeutic agents for various diseases concerning α4 integrin.

  特定的苯丙氨酸衍生物及其类似物具有对α4整合素的拮抗活性。它们被用作治疗与α4整合素相关的各种疾病的治疗剂。
• Noguchi Michihiko, Yamada Kazuo, Synthesis, (1993) N 1, S 145-148
  作者：Noguchi Michihiko, Yamada Kazuo

  DOI：——

  日期：——