6-dimethylamino-2-[(E)-2-(4-formyl-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-vinyl]-1-methyl-quinolinium triflate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 6-dimethylamino-2-[(E)-2-(4-formyl-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-vinyl]-1-methyl-quinolinium triflate
• 英文别名: 4-[(E)-2-[6-(dimethylamino)-1-methylquinolin-1-ium-2-yl]ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;trifluoromethanesulfonate
• 化学式: CF₃O₃S*C₂₇H₂₈N₃O
• 分子量: 559.609
• InChiKey: ACHZWNYXNSVWCF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  94.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-dimethylamino-1,2-dimethylquinolinium triflate 、 2,5-dimethyl-1-phenyl-pyrrole-3,4-dicarbaldehyde 在 哌啶 A 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以to afford a red solid (49 mg, 29%)的产率得到6-dimethylamino-2-[(E)-2-(4-formyl-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-vinyl]-1-methyl-quinolinium triflate
  参考文献：
  名称：

  Novel Quinolinium Salts and Derivatives

  摘要：

  本发明一般涉及合成新型喹啉盐和衍生化合物。这些盐和化合物对抑制癌细胞的生长有用。

  公开号：

  US20080281105A1

文献信息

• WO2006/78754
  申请人：——

  公开号：——

  公开（公告）日：——
• MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck & Co., Inc.

  公开号：EP1817312A1

  公开（公告）日：2007-08-15
• NOVEL QUINOLINIUM SALTS AND DERIVATIVES
  申请人：Immusol Incorporated

  公开号：EP1841428A1

  公开（公告）日：2007-10-10
• [EN] MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE L'AMINOPYRIDYLE DE LA BETA-SECRETASE MACROCYCLIQUE PERMETTANT DE TRAITER LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2006057983A1

  公开（公告）日：2006-06-01

  [EN] The present invention is directed to macrocyclic aminopyridyl compounds represented by general formula (I), which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.
  [FR] L'invention concerne des composés d'aminopyridyle macrocyclique représentés par la formule (I) qui sont des inhibiteurs de l'enzyme bêta-secrétase et qui sont utilisés pour traiter des maladies impliquant l'enzyme bêta-secrétase, telles que la maladie d'Alzheimer. L'invention concerne également des compositions pharmaceutiques comprenant lesdits composés, et l'utilisation de ces composés et de ces compositions pour traiter des maladies impliquant l'enzyme bêta-secrétase.
• [EN] NOVEL QUINOLINIUM SALTS AND DERIVATIVES<br/>[FR] NOUVEAUX SELS DE QUINOLINIUM ET DERIVES
  申请人：IMMUSOL INC

  公开号：WO2006078754A1

  公开（公告）日：2006-07-27

  [EN] The present invention relates generally to the synthesis of novel quinolinium salts and derivative compounds. Such salts and compounds are useful for inhibiting the growth of cancer cells.
  [FR] L'invention concerne généralement la synthèse de nouveaux sels de quinolinium et des composés dérivés. Lesdits sels et composés sont utiles pour inhiber la croissance de cellules cancéreuses.