N-methyl-quinoline-6-carboxyamide | 847248-47-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-methyl-quinoline-6-carboxyamide
• 英文别名: N-methylquinoline-6-carboxamide
• CAS: 847248-47-9
• 化学式: C₁₁H₁₀N₂O
• 分子量: 186.213
• InChiKey: MIALGPVTPXMCIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-quinoline-6-carboxyamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 以38%的产率得到N-甲基-6-喹啉甲胺
  参考文献：
  名称：

  通过3D数据库搜索设计新型烟碱配体。

  摘要：

  基于烟碱的药效基团作为查询，通过对剑桥结构数据库进行3D搜索的结果，设计了一系列喹啉衍生物，并使用分子模型对其进行了进一步修饰。一些合成的化合物对大鼠大脑皮层的中央烟碱样受体具有纳摩尔浓度的亲和力。

  DOI：

  10.1016/j.bmc.2004.10.039
• 作为产物：
  描述：

  喹啉-6-羧酸 在 氯化亚砜 作用下， 以 水 为溶剂， 反应 9.0h， 生成 N-methyl-quinoline-6-carboxyamide
  参考文献：
  名称：

  通过3D数据库搜索设计新型烟碱配体。

  摘要：

  基于烟碱的药效基团作为查询，通过对剑桥结构数据库进行3D搜索的结果，设计了一系列喹啉衍生物，并使用分子模型对其进行了进一步修饰。一些合成的化合物对大鼠大脑皮层的中央烟碱样受体具有纳摩尔浓度的亲和力。

  DOI：

  10.1016/j.bmc.2004.10.039

文献信息

• [EN] AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME<br/>[FR] COMPOSÉ D'AMIDE ET AGENT D'ÉLIMINATION D'UNE MALADIE DES PLANTES L'UTILISANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009057668A1

  公开（公告）日：2009-05-07

  ABSTRACT The present invention is intended to provide a compound having an excellent controlling effect on plant diseases. An amide compound represented by the formula (1): wherein groups represented by Q, A1, G1, X1, X2, X3 and Z1 have the same meaning as defined in the description, has an excellent controlling effect on plant diseases.

  摘要 本发明旨在提供一种对植物病害具有优异控制效果的化合物。由式（1）表示的酰胺化合物：其中由Q、A1、G1、X1、X2、X3和Z1表示的基团具有与描述中定义相同的含义，对植物病害具有优异的控制效果。
• CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER.
  申请人：Hutchison Medipharma Limited

  公开号：EP2966075A1

  公开（公告）日：2016-01-13

  Provided are certain triazolopyridines, compositions thereof and their use in the treatment of cancer.

  本文提供了某些三唑并吡啶、其组合物及其在治疗癌症中的用途。
• Certain triazolopyrazines, compositions thereof and methods of use therefor
  申请人：Hutchison Medipharma Limited

  公开号：EP2719699B1

  公开（公告）日：2015-07-08
• Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1
  申请人：McInnes Campbell

  公开号：US20120202970A1

  公开（公告）日：2012-08-09

  Methods for developing non-peptidic inhibitors that target the polo-box domain of PLK1 proteins are described. Methods include developing structure activity relationships for peptidic inhibitors followed by development of non-peptide fragment alternatives for portions of the peptide inhibitors. The non-peptide fragment can provide similar structure activity relationship as the replaced peptide. Fragment alternatives to key binding determinants are identified in an iterative computational and synthetic process facilitated through understanding of the peptide structure-activity relationships. The approach is informed by peptide structure-activity data obtained through synthesis and testing of truncated and mutated analogs of known PBD binding motifs.
• Method of Forming Fragment Ligated Inhibitors
  申请人：University of South Carolina

  公开号：US20160011195A1

  公开（公告）日：2016-01-14

  Methods for developing non-peptidic inhibitors that target the polo-box domain of PLK1 proteins are described. Methods include developing structure activity relationships for peptidic inhibitors followed by development of non-peptide fragment alternatives for portions of the peptide inhibitors. The non-peptide fragment can provide similar structure activity relationship as the replaced peptide. Fragment alternatives to key binding determinants are identified in an iterative computational and synthetic process facilitated through understanding of the peptide structure-activity relationships. The approach is informed by peptide structure-activity data obtained through synthesis and testing of truncated and mutated analogs of known PBD binding motifs.