pyridine-2-carboxylic acid [4-(2,4-dimethylphenyl)thiazol-2-yl]amide | 1134986-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: pyridine-2-carboxylic acid [4-(2,4-dimethylphenyl)thiazol-2-yl]amide
• 英文别名: N-(4-(2,4-dimethylphenyl)thiazol-2-yl)picolinamide；N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
• CAS: 1134986-02-9
• 化学式: C₁₇H₁₅N₃OS
• 分子量: 309.392
• InChiKey: LDQLYTAVHIDQOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(2,4-二甲基-苯基)-噻唑-2-亚胺 、 吡啶-2-甲酰氯盐酸盐 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到pyridine-2-carboxylic acid [4-(2,4-dimethylphenyl)thiazol-2-yl]amide
  参考文献：
  名称：

  Synthesis and Biological Evaluation of a Series of Novel Inhibitor of Nek2/Hec1 Analogues

  摘要：

  High expression in cancer 1 (Hec1) is an oncogene overly expressed in many human cancers. Small molecule inhibitor of Nek2/Hcc1 (INH) targeting the Heel and its regulator, Nek2, in the mitotic pathway, was identified to inactivate Hec1/Nek2 function mediated by protein degradation that subsequently leads to chromosome mis-segregation and cell death. To further improve the efficacy of INH, a series of INH analogues were designed, synthesized, and evaluated. Among these 33 newly synthesized analogues, three of them, 6, 13, and 21, have 6-8 fold more potent cell killing activity than the previous lead compound INH1. Compounds 6 and 21 were chosen for analyzing the underlying action mechanism. They target directly the Hec1/Nek2 pathway and cause chromosome mis-alignment as well as cell death, a mechanism similar to that of INH1, This initial exploration of structural/functional relationship of INH may advance the progress for developing clinically applicable INH analogue.

  DOI：

  10.1021/jm8015969

文献信息

• Modulators Of HEC1 Activity And Methods Therefor
  申请人：Lau Johnson

  公开号：US20110230486A1

  公开（公告）日：2011-09-22

  Compounds, compositions, and methods for modulation of Hec1/Nek2 interaction are provided. Especially preferred compounds disrupt Nek2/Hec1 binding and are therefore useful as chemotherapeutic agent for neoplastic diseases.

  提供了用于调节Hec1/Nek2相互作用的化合物、组合物和方法。特别偏爱的化合物会破坏Nek2/Hec1的结合，因此可用作肿瘤疾病的化疗药物。
• MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR
  申请人：HUANG Jiann-Jyh

  公开号：US20130190312A1

  公开（公告）日：2013-07-25

  Compounds, compositions, and methods for modulation of Hec1/Nek2 interaction are provided. Such compounds disrupt Nek2/Hec1 binding and may be useful as chemotherapeutic agents for neoplastic diseases.

  提供了调节Hec1/Nek2相互作用的化合物、组合物和方法。这些化合物破坏Nek2/Hec1结合，可能作为肿瘤治疗药物有用。
• US8946268B2
  申请人：——

  公开号：US8946268B2

  公开（公告）日：2015-02-03
• US8999983B2
  申请人：——

  公开号：US8999983B2

  公开（公告）日：2015-04-07
• US9409902B2
  申请人：——

  公开号：US9409902B2

  公开（公告）日：2016-08-09