6-chloro-7-(3-fluorophenyl)-N²-(4,4,4-trifluorobutyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide | 1352086-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 6-chloro-7-(3-fluorophenyl)-N²-(4,4,4-trifluorobutyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide
• 英文别名: 6-chloro-7-(3-fluorophenyl)-N2-(4,4,4-trifluorobutyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide；6-chloro-7-(3-fluorophenyl)-2-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
• CAS: 1352086-91-9
• 化学式: C₁₉H₁₉ClF₄N₄O₂
• 分子量: 446.832
• InChiKey: IELRGHSGHRWIRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-chloro-7-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carbonitrile 在 水 、 双氧水 、 sodium carbonate 、 三氟乙酸 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 二甲基亚砜 、 乙腈 为溶剂， 反应 21.25h， 生成 6-chloro-7-(3-fluorophenyl)-N²-(4,4,4-trifluorobutyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide
  参考文献：
  名称：

  3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF

  摘要：

  与一般式（I）相对应的化合物 其中R2代表一个基团C1-10-烷基，C3-10-环烷基，C3-7-环烷基-C1-6-烷基，C1-6-烷基-C3-7-环烷基，C3-7-环烷基-C3-7-环烷基，C1-6-硫代烷基-C1-10-烷基，C1-6-氧代烷基-C1-10-烷基，羟基-C1-10-烷基，羟基-C1-6-烷基-C3-7-环烷基，羟基-C3-10-环烷基，C1-10-氟代烷基或C3-10-氟代环烷基；一个可选择取代的杂环基团；一个基团C1-10-烷基，该基团被一个可选择取代的杂环基团取代；X6代表从氢，氟，氯和溴原子或一个基团C1-6-烷基，C3-7-环烷基，C3-7-环烷基-C1-6-烷基，C1-6-氟代烷基或氰基中选择的一个基团；和R7代表芳基，如苯基或萘基，可选择地取代一个或多个取代基，以其碱形式或酸加合盐形式存在，并且其治疗用途。

  公开号：

  US20130090340A1

文献信息

• [EN] 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF<br/>[FR] DÉRIVÉS DE 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE, LEUR PRÉPARATION ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：SANOFI SA

  公开号：WO2011161537A3

  公开（公告）日：2012-03-01
• CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20200078387A1

  公开（公告）日：2020-03-12

  The present invention relates generally to chromosome maintenance and cell viability, and more specifically, to the identification of kinases the inhibition of which blocks telomere elongation. In one aspect, the present invention provides methods for treating cancer. The methods generally comprise the administration of agents that interfere with the lengthening of telomeres in cancer. In a specific embodiment, a method of treating cancer in a subject by interfering with lengthening of telomeres in cancer cells comprises administering to the cells an effective amount of an inhibitor of casein kinase 1 (CK1), wherein the administration of the inhibitor leads to progressive telomere shortening in the cancer cell, thereby treating cancer in the subject. In another embodiment, the method can further comprise administering to the cells an effective amount of an inhibitor of bromodomain-containing protein 4 (BRD4) and/or an inhibitor of the MEK/ERK pathway.
• US8791119B2
  申请人：——

  公开号：US8791119B2

  公开（公告）日：2014-07-29
• US9233965B2
  申请人：——

  公开号：US9233965B2

  公开（公告）日：2016-01-12
• [EN] CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER<br/>[FR] INHIBITEURS CHIMIQUES CONTRE LES KINASES POUR BLOQUER L'ÉLONGATION DES TÉLOMÈRES DANS LE CANCER
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2018112342A1

  公开（公告）日：2018-06-21

  The present invention relates generally to chromosome maintenance and cell viability, and more specifically, to the identification of kinases the inhibition of which blocks telomere elongation. In one aspect, the present invention provides methods for treating cancer. The methods generally comprise the administration of agents that interfere with the lengthening of telomeres in cancer. In a specific embodiment, a method of treating cancer in a subject by interfering with lengthening of telomeres in cancer cells comprises administering to the cells an effective amount of an inhibitor of casein kinase 1 (CK1), wherein the administration of the inhibitor leads to progressive telomere shortening in the cancer cell, thereby treating cancer in the subject. In another embodiment, the method can further comprise administering to the cells an effective amount of an inhibitor of bromodomain-containing protein 4 (BRD4) and/or an inhibitor of the MEK/ERK pathway.