phenyl (5-cyanopyridin-2-yl)carbamate | 862011-06-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenyl (5-cyanopyridin-2-yl)carbamate
• 英文别名: phenyl N-(5-cyanopyridin-2-yl)carbamate
• CAS: 862011-06-1
• 化学式: C₁₃H₉N₃O₂
• 分子量: 239.233
• InChiKey: BGVAIBDDJMMAML-UHFFFAOYSA-N

物化性质

• 沸点：
  399.4±42.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phenyl (5-cyanopyridin-2-yl)carbamate 、 N-[3-(2-氨基-4-氯苯氧基)丙基]-N,N-二甲胺 生成 1-(5-chloro-2-(3-dimethylaminopropoxy)phenyl)-3-(5-cyanopyridin-2-yl)urea
  参考文献：
  名称：

  N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER

  摘要：

  该发明提供了一种Chk-1激酶抑制化合物，其化学式为(I)或其盐，溶剂合物或互变异构体，其中：G为CH2，O，NH，NHCO或CONH; A是(CH2)n基团，其中n为1至4，但当G为O或NH时，n至少为2; X1为氮或CH; X2为氮或CR5基团; X3为氮或CR5基团; X4为氮或CH; 前提是X2、X3和X4中不超过两个为氮; R1、R2、R3、R4、R5和R6如所述。

  公开号：

  US20090270416A1
• 作为产物：
  描述：

  2-氨基-5-氰基吡啶 、 氯甲酸苯酯 生成 phenyl (5-cyanopyridin-2-yl)carbamate
  参考文献：
  名称：

  N-OXIDES OF DIARYLUREA DERIVATIVES AND THEIR USE AS Chk1 INHIBITORS FOR THE TREATMENT OF CANCER

  摘要：

  该发明提供了一种Chk-1激酶抑制化合物，其化学式为(I)或其盐，溶剂合物或互变异构体，其中：G为CH2，O，NH，NHCO或CONH; A是(CH2)n基团，其中n为1至4，但当G为O或NH时，n至少为2; X1为氮或CH; X2为氮或CR5基团; X3为氮或CR5基团; X4为氮或CH; 前提是X2、X3和X4中不超过两个为氮; R1、R2、R3、R4、R5和R6如所述。

  公开号：

  US20090270416A1

文献信息

• Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors
  申请人：Buschmann Nicole

  公开号：US20150119385A1

  公开（公告）日：2015-04-30

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing said compound, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

  本发明提供了化合物(I)或其药学上可接受的盐；制造该化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合物和包括该化合物的药物组合。
• [EN] RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS<br/>[FR] DÉRIVÉS PYRIDYLE BICYCLIQUES À ANNEAUX FUSIONNÉS UTILISÉS EN TANT QU'INHIBITEURS DE FGFR4
  申请人：NOVARTIS AG

  公开号：WO2015059668A1

  公开（公告）日：2015-04-30

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing said compound, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

  本发明提供了化合物(I)或其药学上可接受的盐；制备该化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合物和包含该化合物的药物组合物。
• Chk-1 inhibitors
  申请人：Boyle G. Robert

  公开号：US20050176733A1

  公开（公告）日：2005-08-11

  This invention provides compounds and methods for treating cancer. More particularly, the invention provides compounds that inhibit Chk-1. These compounds potentiate the action of DNA-damaging agents such as chemotherapy and radiation therapy.

  这项发明提供了一种用于治疗癌症的化合物和方法。更具体地说，该发明提供了一种抑制Chk-1的化合物。这些化合物增强了DNA损伤剂（如化疗和放疗）的作用。
• [EN] FORMYLATED N-HETEROCYCLIC DERIVATIVES AS FGFR4 INHIBITORS<br/>[FR] DÉRIVÉS N-HÉTÉROCYCLIQUES FORMYLÉS UTILISÉS EN TANT QU'INHIBITEURS DE FGFR4
  申请人：NOVARTIS AG

  公开号：WO2016151499A1

  公开（公告）日：2016-09-29

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; (I) a method for manufacturing said compound, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

  本发明提供了化合物(I)或其药学上可接受的盐；(I)制造该化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合物和包含该化合物的药物组合物。
• 2-Formylpyridyl Ureas as Highly Selective Reversible-Covalent Inhibitors of Fibroblast Growth Factor Receptor 4
  作者：Thomas Knoepfel、Pascal Furet、Robert Mah、Nicole Buschmann、Catherine Leblanc、Sebastien Ripoche、Diana Graus-Porta、Markus Wartmann、Inga Galuba、Robin A. Fairhurst

  DOI：10.1021/acsmedchemlett.7b00485

  日期：2018.3.8

  As part of a project to identify FGFR4 selective inhibitors, scaffold morphing of a 2-formylquinoline amide hit identified series of 2-formylpyridine ureas (2-FPUs) with improved potency and physicochemical properties. In particular, tetrahydronaphthyridine urea analogues with cellular activities below 30 nM have been identified. Consistent with the hypothesized reversible-covalent mechanism of inhibition, the 2-FPUs exhibited slow binding kinetics, and the aldehyde, as the putative electrophile, could be demonstrated to be a key structural element for activity.