2-p-tolyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并三嗪类
• 英文名称: 2-p-tolyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
• 英文别名: 2-(4-methylphenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
• 化学式: C₁₃H₁₁N₃O
• 分子量: 225.25
• InChiKey: BPAYJBGYKHXOBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  46.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(4-methylbenzoylamino)-1H-pyrrole-2-carboxylic acid amide 在 氮气 、 水 、 silica gel 、 methanol-dichloromethane 作用下， 以 氨 为溶剂， 反应 40.0h， 以Chromatography on a silica gel column with methanol/dichloromethane as eluent affords 2-p-tolyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one as white crystals的产率得到2-p-tolyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
  参考文献：
  名称：

  PYRROLOTRIAZINONE DERIVATIVES

  摘要：

  公式I的化合物中，X、R1和Y的含义如权利要求1所示，是Tankyrase的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。

  公开号：

  US20150133453A1

文献信息

• PYRROLOTRIAZINONE DERIVATIVES
  申请人：Merck Patent GmbH

  公开号：US20150133453A1

  公开（公告）日：2015-05-14

  Compounds of the formula I in which X, R 1 and Y have the meanings indicated in Claim 1, are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  公式I的化合物中，X、R1和Y的含义如权利要求1所示，是Tankyrase的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• [EN] PYRROLOTRIAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRROLOTRIAZINONE
  申请人：MERCK PATENT GMBH

  公开号：WO2013164061A8

  公开（公告）日：2014-11-06
• COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS
  申请人：BROWN Dennis M.

  公开号：US20160067241A1

  公开（公告）日：2016-03-10

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to naphthalimides such as amonafide or analogs, derivatives, or prodrugs thereof.
• US9174995B2
  申请人：——

  公开号：US9174995B2

  公开（公告）日：2015-11-03
• [EN] COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS<br/>[FR] COMPOSITIONS ET PROCÉDÉS PERMETTANT D'AMÉLIORER LE BÉNÉFICE THÉRAPEUTIQUE DES COMPOSÉS CHIMIQUES ADMINISTRÉS DE MANIÈRE SUBOPTIMALE COMPRENANT DES NAPHTALIMIDES SUBSTITUÉS TELS QUE L'AMONAFIDE POUR LE TRAITEMENT DES MALADIES IMMUNOLOGIQUES, MÉTABOLIQUES, INFECTIEUSES ET INFECTIEUSES OU HYPERPROLIFÉRATIVES ET NÉOPLASTIQUES.
  申请人：BROWN DENNIS M

  公开号：WO2014179528A2

  公开（公告）日：2014-11-06

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to naphthalimides such as amonafide or analogs, derivatives, or prodrugs thereof.