5-chloro-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 808734-09-0

• 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: 5-chloro-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• CAS: 808734-09-0
• 化学式: C₁₁H₉ClN₆
• 分子量: 260.686
• InChiKey: AFCANYLXYGKPBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-chloro-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 、 3-溴苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 [5-(3-Bromo-phenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-pyridin-4-ylmethyl-amine
  参考文献：
  名称：

  Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: Protein structure-guided design and SAR

  摘要：

  Crystallographic and modelling data, in conjunction with a medicinal chemistry template-hopping approach, led to the identification of a series of novel and potent inhibitors of human cyclin-dependent kinase 2 (CDK2), with selectivity over glycogen synthase kinase-3 beta (GSK-3 beta). One example had a CDK2 IC50 of 120 nM and showed selectivity over GSK-3 beta of 167-fold. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.048
• 作为产物：
  描述：

  4-甲氨基吡啶 、 5,7-二氯-[1,2,4]噻唑并[1,5-a]嘧啶 以 甲醇 为溶剂， 生成 5-chloro-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: Protein structure-guided design and SAR

  摘要：

  Crystallographic and modelling data, in conjunction with a medicinal chemistry template-hopping approach, led to the identification of a series of novel and potent inhibitors of human cyclin-dependent kinase 2 (CDK2), with selectivity over glycogen synthase kinase-3 beta (GSK-3 beta). One example had a CDK2 IC50 of 120 nM and showed selectivity over GSK-3 beta of 167-fold. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.048

文献信息

• [EN] COMPOUNDS FOR IMPROVING MRNA SPLICING<br/>[FR] COMPOSÉS POUR AMÉLIORER L'ÉPISSAGE DE L'ARNM
  申请人：GEN HOSPITAL CORP

  公开号：WO2016115434A1

  公开（公告）日：2016-07-21

  Provided herein are compounds useful for improving mRNA splicing in a cell. Exemplary compounds provided herein are useful for improving mRNA splicing in genes comprising at least one exon ending in the nucleotide sequence CAA. Methods for preparing the compounds and methods of treating diseases of the central nervous system are also provided.

  本文提供了一些有助于改善细胞内mRNA剪接的化合物。本文提供的示例化合物有助于改善包含至少一个以核苷酸序列CAA结尾的外显子的基因的mRNA剪接。还提供了制备这些化合物的方法以及治疗中枢神经系统疾病的方法。
• Triazolo ' 1, 5-A ! Pyrimidines and Their Use in Medicine
  申请人：Bower Fairfield Justin

  公开号：US20070275961A1

  公开（公告）日：2007-11-29

  Compounds of formula (IA) or (AB) are kinase inhibitors, especially of CDK2, and/or PDK1 and/or CHK1: wherein Ring A is an optionally substituted aryl, heteroaryl, carbocyclic or heterocyclic radical, Alk represents an optionally substituted clivaient C 1 -C 6 alkylene radical; n is 0 or 1; Q represents a radical of formula -(Alk 1 )p-(X),(Alk 2 ) s -Z wherein in any compatible combination Z is hydrogen or an optionally substituted carbocyclic or heterocyclic ring, p, r and s are 0 or 1, and Alk 1 , Alk 2 , X, are as described in the specification, and R 1 represents a radical 3 4 3 (CYC) k -(Alk 3 ) a -(Y) b -(Alk 4 ) d -B wherein k, a, b and d are 0 or 1, and Cyc, Alk 3 , Alk 4 and B are as described in the specification.

  式为（IA）或（AB）的化合物是激酶抑制剂，特别是CDK2、PDK1和/或CHK1的抑制剂：其中环A是可选取代的芳基、杂芳基、碳环或杂环基，Alk代表可选取代的C1-C6烷基；n为0或1；Q表示公式-(Alk1)p-(X),(Alk2)s-Z的基团，其中在任何兼容的组合中，Z为氢或可选取代的碳环或杂环，p、r和s为0或1，Alk1、Alk2、X如规范所述，R1表示基团3 4 3 (CYC)k-(Alk3)a-(Y)b-(Alk4)d-B，其中k、a、b和d为0或1，Cyc、Alk3、Alk4和B如规范所述。
• Compounds for improving mRNA splicing
  申请人：The General Hospital Corporation

  公开号：US10676475B2

  公开（公告）日：2020-06-09

  Provided herein are compounds useful for improving mRNA splicing in a cell. Exemplary compounds provided herein are useful for improving mRNA splicing in genes comprising at least one exon ending in the nucleotide sequence CAA. Methods for preparing the compounds and methods of treating diseases of the central nervous system are also provided.

  本文提供的化合物有助于改善细胞中的 mRNA 剪接。本文提供的示例化合物可用于改善包含至少一个以核苷酸序列 CAA 结尾的外显子的基因中的 mRNA 剪接。还提供了制备这些化合物的方法和治疗中枢神经系统疾病的方法。
• COMPOUNDS FOR IMPROVING MRNA SPLICING
  申请人：The General Hospital Corporation

  公开号：EP3244891A1

  公开（公告）日：2017-11-22
• Compounds for Improving mRNA Splicing
  申请人：The General Hospital Corporation

  公开号：US20180118748A1

  公开（公告）日：2018-05-03

  Provided herein are compounds useful for improving mRNA splicing in a cell. Exemplary compounds provided herein are useful for improving mRNA splicing in genes comprising at least one exon ending in the nucleotide sequence CAA. Methods for preparing the compounds and methods of treating diseases of the central nervous system are also provided.