3H-<1,2,4>triazolo<3,2-i>purine | 4022-94-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 3H-<1,2,4>triazolo<3,2-i>purine
• 英文别名: 1,2,4-triazolo<5.1-i>purine；1,2,4-triazolo[5.1-i]purine；7H-[1,2,4]triazolo[5,1-f]purine；1H-[1,2,4]triazolo[5,1-f]purine
• CAS: 4022-94-0
• 化学式: C₆H₄N₆
• 分子量: 160.138
• InChiKey: CGIJRYWWLNUTAD-UHFFFAOYSA-N

物化性质

• 熔点：
  >264 °C
• 密度：
  2.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2'-脱氧腺苷 在 盐酸 、 dinitrophenoxyamine 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.08h， 生成 3H-<1,2,4>triazolo<3,2-i>purine
  参考文献：
  名称：

  Reactions of 9-Substituted 1-Aminoadenines with Nucleophiles and Syntheses of 3-Substituted 3H-Imidazo[4, 5-e][1, 2, 4]triazolo[1, 5-c][1, 2, 3]triazines

  摘要：

  Reactions of 1-aminoadenines (2) with NH2OH gave adenine 1-oxides (6). Alkaline treatment of 2 afforded 5-amino-4-(1,2,4-triazol-3-yl)imidazoles (3), which were converted to 3H-imidazo[4,5-e][1,2,4]triazolo[1,5-c][1,2,3]triazines (5), aza analogues o 3H-[1,2,4]triazolo[3,2-i]purines (4), by treatment with NaNO2.

  DOI：

  10.1080/15257779408012163

文献信息

• Enhancing treatment of cancer and HIF-1 mediated disorders with adenosine A3 receptor antagonists
  申请人：Borea Andrea Pier

  公开号：US20060204502A1

  公开（公告）日：2006-09-14

  The present invention relates to the use of adenosine receptor antagonists, preferably A 3 receptor antagonists, either alone or in combination with other agents for the treatment, prevention and/or management of diseases or disorders associated with overexpression of HIF-1α and/or increased HIF-1α activity (e.g., cancer, respiratory disease). The methods and compositions of the invention are particularly useful for preventing, treating, or ameliorating symptoms associated with a cancer, disease or disorder associated with hypoxia-inducible factor 1α (HIF-1α) using the A 3 receptor antagonists of the invention. The present invention provides methods to inhibit the growth of tumors, particularly solid tumors and more particularly hypoxic tumors.

  本发明涉及使用腺苷受体拮抗剂，最好是 A 3 受体拮抗剂，单独或与其他制剂联合用于治疗、预防和/或控制与 HIF-1α 过度表达和/或 HIF-1α 活性增加有关的疾病或紊乱（如癌症、呼吸系统疾病）。本发明的方法和组合物特别适用于预防、治疗或改善与缺氧诱导因子 1α （HIF-1α）相关的癌症、疾病或失调有关的症状。 3 受体拮抗剂。本发明提供了抑制肿瘤，特别是实体瘤，更特别是缺氧性肿瘤生长的方法。
• Rearrangements in heterocyclic synthesis: a novel translocation of an (N-amino-N-methylamino)methylene group from a heterocyclic N-amino-N-methylformamidine side chain to the vinylogous nitrile function
  作者：Ramachandra S. Hosmane、Benjamin B. Lim、Friedrich N. Burnett

  DOI：10.1021/jo00237a028

  日期：1988.1
• Hosmane, Ramachandra S.; Lim, Benjamin B., Heterocycles, 1988, vol. 27, # 1, p. 31 - 34
  作者：Hosmane, Ramachandra S.、Lim, Benjamin B.

  DOI：——

  日期：——
• HOSMANE, RAMACHANDRA S.;LIM, BENJAMIN B.;BURNETT, FRIEDRICH N., J. ORG. CHEM., 53,(1988) N 2, 382-386
  作者：HOSMANE, RAMACHANDRA S.、LIM, BENJAMIN B.、BURNETT, FRIEDRICH N.

  DOI：——

  日期：——
• ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS
  申请人：King Pharmaceuticals Research and Development Inc.

  公开号：EP1827445A2

  公开（公告）日：2007-09-05