{2-[(dimethylamino)carbonyl]pyridin-4-yl}methyl methanesulfonate | 877997-57-4

• 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: {2-[(dimethylamino)carbonyl]pyridin-4-yl}methyl methanesulfonate
• 英文别名: [2-(dimethylcarbamoyl)pyridin-4-yl]methyl methanesulfonate
• CAS: 877997-57-4
• 化学式: C₁₀H₁₄N₂O₄S
• 分子量: 258.298
• InChiKey: NPFWATHRZCVZGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  85
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-fluorobenzamide 、 2-amino-N-(2,2,3,3-tetrafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide 、 {2-[(dimethylamino)carbonyl]pyridin-4-yl}methyl methanesulfonate 生成 4-{[(2-{[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]carbonyl}-4-fluorophenyl)amino]methyl}-N,N-dimethylpyridine-2-carboxamide
  参考文献：
  名称：

  2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents

  摘要：

  化合物的化学式为(1)，其中含有E的环为苯环、吡啶环或嘧啶环。在公式(1)中，符号A代表，其中基团R4代表卤素、CF3或H，前提是任何A上CF3基团的最大数量为2，且与它们连接的碳原子形成6元环的A组的氢原子的最大数量为2，与它们连接的碳原子形成5元环的A组的氢原子的最大数量为1。当E形成苯环时，Z代表N或CH，当E形成吡啶环或嘧啶环时，Z代表CH。基团R1、R2和R3及下标a、b和d如所述和要求中定义。还披露和声明了含有化合物(1)的制药组合物和使用化合物(1)治疗癌症的方法。

  公开号：

  US20080293696A1

文献信息

• 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS
  申请人：Bayer Pharmaceuticals Corporation

  公开号：EP1765811A2

  公开（公告）日：2007-03-28
• [EN] 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS<br/>[FR] 2-AMINOARYLCARBOXAMIDES UTILES COMME AGENTS CHIMIOTHERAPEUTIQUES CONTRE LE CANCER
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2006002383A2

  公开（公告）日：2006-01-05

  A compound having the formula (1) in which the ring containing E is a phenyl, a pyridine, or a pyrimidine. In formula (1) the symbol A represents (see structures) wherein the group R4 represents halogen, CF3, or H, provided that the maximum number of CF3 groups on any A is 2, and the maximum number of hydrogens on A is 2 for the A groups which together with the carbon atoms to which they are attached form 6-membered rings, and the maximum number of hydrogens on A is 1 for the A group which together with the carbon atoms to which it is attached forms a 5-membered ring. Z represents N or CH when E forms a phenyl ring, and represents CH when E forms a pyridine or pyrimidine. The groups R1, R2 and R3 and the subscripts a, b, and d are as defined in the text and claims. Pharmaceutical compositions containing a compound of formula (1) and methods of treating cancer using compounds of formula (1) are also disclosed and claimed.
• [EN] 2-AMINOTHIOPHENECARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS<br/>[FR] UTILISATION DE 2-AMINOTHIOPHENECARBOXAMIDES COMME AGENTS CHIMIOTHERAPEUTIQUES DANS LE TRAITEMENT DU CANCER
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2006023707A2

  公开（公告）日：2006-03-02

  This invention relates to novel 2-aminothiophenecarboxamide compounds, pharmaceutical compositions containing such compounds, and the use of those compounds or compositions as cancer chemotherapeutic agents.