2-chloro-4-(2,4-dichlorophenyl)pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-chloro-4-(2,4-dichlorophenyl)pyrimidine
• 英文别名: 4-(2,4-dichlorophenyl)-2-chloropyrimidine；2-chloro-4-(2,4-dichloro-phenyl)-pyrimidine
• 化学式: C₁₀H₅Cl₃N₂
• 分子量: 259.522
• InChiKey: BZMRXLJOOHPIIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  磺胺异噁唑 、 2-chloro-4-(2,4-dichlorophenyl)pyrimidine 在 盐酸 作用下， 以 1,4-二氧六环 、 叔丁醇 为溶剂， 反应 5.0h， 生成 4-{[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino}-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
  参考文献：
  名称：

  Novel compounds with potent CDK9 inhibitory activity for the treatment of myeloma

  摘要：

  Cyclin-dependent kinases (CDKs) and Polo-like kinases (PLKs) play key role in the regulation of the cell cycle. The aim of our study was originally the further development of our recently discovered polo-like kinase 1 (PLK1) inhibitors. A series of new 2,4-disubstituted pyrimidine derivatives were synthesized around the original hit, but their PLK1 inhibitory activity was very poor. However the novel compounds showed nanomolar CDK9 inhibitory activity and very good antiproliferative effect on multiple myeloma cell lines (RPMI-8226). (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2018.01.002
• 作为产物：
  描述：

  2,4-二氯苯乙酮 在 四氯化钛 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 1.92h， 生成 2-chloro-4-(2,4-dichlorophenyl)pyrimidine
  参考文献：
  名称：

  A NOVEL AND EFFICIENT SYNTHESIS OF 4-PHENYL-2-CHLOROPYRIMIDINES FROM ACETOPHENONE CYANOIMINES

  摘要：

  A versatile and efficient 2 step synthesis of 4-phenyl-2-chloropyrimidines is described. The reaction proceeds by treatment of acetophenone cyanoimines under Vilsmeier-Haack conditions to give the target compounds in moderate yields.

  DOI：

  10.1081/scc-120012991

文献信息

• NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER
  申请人：Guo Lei

  公开号：US20120065204A1

  公开（公告）日：2012-03-15

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt, ester or stereoisomer thereof, wherein R 1 to R 3 and X have the significances given herein. The present invention is also directed to processes for making said compounds and uses of said compounds, in particular their use as medicaments, more particularly their use as medicaments in the treatment of cancer.

  本发明提供了式（I）的化合物或其药学上可接受的盐、酯或立体异构体，其中R1至R3和X具有本文中给出的含义。本发明还涉及制备所述化合物的方法和所述化合物的用途，特别是它们作为药物的用途，更具体地说是它们作为治疗癌症的药物的用途。
• [EN] NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER<br/>[FR] NOUVEAUX N-HYDROXY-BENZAMIDES DESTINÉS AU TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012031993A1

  公开（公告）日：2012-03-15

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt, ester or stereoisomer thereof, wherein R1 to R3 and X have the significances given herein. The present invention is also directed to processes for making said compounds and uses of said compounds, in particular their use as medicaments, more particularly their use as medicaments in the treatment of cancer.

  本发明提供了式（I）的化合物或其药用可接受的盐、酯或立体异构体，其中R1至R3和X具有本文中给出的含义。本发明还涉及制备所述化合物的方法和所述化合物的用途，特别是它们作为药物的用途，更具体地说是它们作为治疗癌症的药物的用途。
• NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2613775A1

  公开（公告）日：2013-07-17
• N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2613775B1

  公开（公告）日：2014-07-30
• US8716285B2
  申请人：——

  公开号：US8716285B2

  公开（公告）日：2014-05-06