2-(benzylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 128626-77-7

• 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: 2-(benzylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
• 英文别名: 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• CAS: 128626-77-7
• 化学式: C₁₃H₁₃N₅O
• mdl: MFCD06002953
• 分子量: 255.279
• InChiKey: WYKGSBSOUPEGGF-UHFFFAOYSA-N

物化性质

• 熔点：
  324-327 °C(Solv: N,N-dimethylformamide (68-12-2))
• 沸点：
  534.7±43.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 N³-benzyl-1H-1,2,4-triazole-3,5-diamine 以 溶剂黄146 为溶剂， 反应 2.0h， 以76%的产率得到2-(benzylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
  参考文献：
  名称：

  On triazoles XIX: The reaction of 5-amino-1,2,4-triazoles with functionalized acetoacetic esters

  摘要：

  DOI：

  10.1007/bf00809530

文献信息

• Inhibitors of cancer invasion, attachment, and/or metastasis
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：US11008325B2

  公开（公告）日：2021-05-18

  Provided herein are, inter alia, compositions that bind to a PDZ1 domain of MDA-9/Syntenin (syndecan binding protein: SDCBP), thereby inhibiting MDA-9/Syntenin activity, and methods of use of same. The compositions and methods provided herein are useful for treating cancer and preventing cancer metastasis, particularly in cancers that have increased MDA-9/Syntenin expression.

  本文特别提供了与 MDA-9/Syntenin（辛迪卡结合蛋白：SDCBP）的 PDZ1 结构域结合从而抑制 MDA-9/Syntenin 活性的组合物及其使用方法。本文提供的组合物和方法可用于治疗癌症和预防癌症转移，特别是在 MDA-9/Syntenin 表达增加的癌症中。
• REITER, JOZSEF;PONGO, LASZLO;SOMORAI, TAMAS;PALLAGI, ISTVAN, MONATSH. CHEM., 121,(1990) N-3, C. 173-187
  作者：REITER, JOZSEF、PONGO, LASZLO、SOMORAI, TAMAS、PALLAGI, ISTVAN

  DOI：——

  日期：——
• INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：US20190263824A1

  公开（公告）日：2019-08-29

  Provided herein are, inter alia, compositions that bind to a PDZ1 domain of MDA-9/Syntenin (syndecan binding protein: SDCBP), thereby inhibiting MDA-9/Syntenin activity, and methods of use of same. The compositions and methods provided herein are useful for treating cancer and preventing cancer metastasis, particularly in cancers that have increased MDA-9/Syntenin expression.
• [EN] METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR INDUIRE L'APOPTOSE DANS DES CELLULES SOUCHES CANCÉREUSES
  申请人：UNIV VIRGINIA COMMONWEALTH

  公开号：WO2021127305A1

  公开（公告）日：2021-06-24

  Provided herein are pharmaceutical compositions and methods useful for treating cancer and preventing cancer metastasis, particularly in cancers that have increased MDA-9/Syntenin expression. In embodiments, the method includes administering to the subject a combined effective amount of (a) an agent that inhibits MDA-9, and (b) an anti-cancer agent, wherein the anti-cancer agent is a mitotic inhibitor or a histone deacetylase (HDAC) inhibitor.
• On triazoles XIX: The reaction of 5-amino-1,2,4-triazoles with functionalized acetoacetic esters
  作者：J�zsef Reiter、L�szl� Pong�、Tam�s Somorai、Istv�n Pallagi

  DOI：10.1007/bf00809530

  日期：——