(4-benzothiazol-2-yl-phenyl)-[2-(4,6-dichloro-[1,3,5]triazin-2-yloxy)-ethyl]-methyl-amine | 958859-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: (4-benzothiazol-2-yl-phenyl)-[2-(4,6-dichloro-[1,3,5]triazin-2-yloxy)-ethyl]-methyl-amine
• 英文别名: (4-Benzothiazol-2-yl-phenyl)-[2-(4,6-dichloro-[1,3,5]triazin-2-yloxy)-ethyl]-methyl-amine；4-(1,3-benzothiazol-2-yl)-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]-N-methylaniline
• CAS: 958859-18-2
• 化学式: C₁₉H₁₅Cl₂N₅OS
• 分子量: 432.333
• InChiKey: SKYAPHKEFGWKAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  92.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4-benzothiazol-2-yl-phenyl)-[2-(4,6-dichloro-[1,3,5]triazin-2-yloxy)-ethyl]-methyl-amine 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 10-(4-{2-[(4-benzothiazol-2-yl-phenyl)methylamino]ethoxy}-6-butylamino-[1,3,5]triazin-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester
  参考文献：
  名称：

  New chelating ligands for Co(III)-based peptide-cleaving catalysts selective for pathogenic proteins of amyloidoses

  摘要：

  The Co(III) complex of 1,4,7,10-tetraazacyclododecane has been employed as the catalytic center of target-selective peptide-cleaving catalysts in previous studies. As new chelating ligands for the Co(III) ion in the peptide-cleaving catalysts, 1-oxo-4,7,10-triazacyclodedecane, 1-aryl-1,4,7,10-tetraazacyclodecane, and 7-aryl-1-oxo-4,7,10-triazacyclodecane were examined in the present study. A chemical library comprising 612 derivatives of the Co(III) complex of the new chelating ligands was constructed. The catalyst candidates were tested for their activity to cleave the soluble oligomers of amyloidogenic peptides amyloid beta-42 and human islet amyloid polypeptide (h-IAPP), which are believed to be the pathogenic species for Alzheimer's disease and type 2 diabetes mellitus, respectively. One derivative of the Co(III) complex of 1-aryl-1,4,7,10-tetraazacyclodecane was found to cleave the oligomers of h-IAPP. Cleavage products were identified and cleavage yields were measured at various catalyst concentrations for the action of the new catalyst. The present results reveal that effective catalytic drugs for amyloidoses may be obtained by using Co(III) complexes of various chelating ligands.

  DOI：

  10.1007/s00775-010-0750-y
• 作为产物：
  描述：

  三聚氯氰 、 2-[(4-benzothiazol-2-yl-phenyl)-methyl-amino]-ethanol 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 (4-benzothiazol-2-yl-phenyl)-[2-(4,6-dichloro-[1,3,5]triazin-2-yloxy)-ethyl]-methyl-amine
  参考文献：
  名称：

  CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN

  摘要：

  这项发明涉及一种裂解剂和一种选择性作用于可溶性淀粉样肽或蛋白质组装体的裂解方法。

  公开号：

  US20100036122A1

文献信息

• CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN
  申请人：Suh Jung Hun

  公开号：US20100036122A1

  公开（公告）日：2010-02-11

  The present invention relates to a cleavage agent and a cleavage method selectively acting on soluble assembly of amyloidogenic peptide or protein.

  这项发明涉及一种裂解剂和一种选择性作用于可溶性淀粉样肽或蛋白质组装体的裂解方法。
• WO2008/51017
  申请人：——

  公开号：——

  公开（公告）日：——
• Cleavage Agents for Soluble Oligomers of Amyloid β Peptides
  作者：Junghun Suh、Sang Ho Yoo、Min Gyum Kim、Keunhong Jeong、Jae Young Ahn、Myoung-soon Kim、Pil Seok Chae、Tae Yeon Lee、Jaehwa Lee、Jeongkuk Lee、Yun Ah Jang、Eun Hwa Ko

  DOI：10.1002/anie.200702399

  日期：2007.9.17
• [EN] A CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN<br/>[FR] AGENT DE CLIVAGE AGISSANT SÉLECTIVEMENT SUR UN ASSEMBLAGE SOLUBLE DE PEPTIDE OU PROTÉINE AMYLOÏDOGÉNIQUE
  申请人：SEOUL NAT UNIV IND FOUNDATION

  公开号：WO2008051017A1

  公开（公告）日：2008-05-02

  [EN] The present invention relates to a cleavage agent and a cleavage method selectively acting on soluble assembly of amyloidogenic peptide or protein.
  [FR] La présente invention concerne un agent de clivage ainsi qu'un procédé de clivage agissant sélectivement sur un assemblage soluble de peptide ou protéine amyloïdogénique.
• New chelating ligands for Co(III)-based peptide-cleaving catalysts selective for pathogenic proteins of amyloidoses
  作者：Woo Suk Chei、Heeyeon Ju、Junghun Suh

  DOI：10.1007/s00775-010-0750-y

  日期：2011.3

  The Co(III) complex of 1,4,7,10-tetraazacyclododecane has been employed as the catalytic center of target-selective peptide-cleaving catalysts in previous studies. As new chelating ligands for the Co(III) ion in the peptide-cleaving catalysts, 1-oxo-4,7,10-triazacyclodedecane, 1-aryl-1,4,7,10-tetraazacyclodecane, and 7-aryl-1-oxo-4,7,10-triazacyclodecane were examined in the present study. A chemical library comprising 612 derivatives of the Co(III) complex of the new chelating ligands was constructed. The catalyst candidates were tested for their activity to cleave the soluble oligomers of amyloidogenic peptides amyloid beta-42 and human islet amyloid polypeptide (h-IAPP), which are believed to be the pathogenic species for Alzheimer's disease and type 2 diabetes mellitus, respectively. One derivative of the Co(III) complex of 1-aryl-1,4,7,10-tetraazacyclodecane was found to cleave the oligomers of h-IAPP. Cleavage products were identified and cleavage yields were measured at various catalyst concentrations for the action of the new catalyst. The present results reveal that effective catalytic drugs for amyloidoses may be obtained by using Co(III) complexes of various chelating ligands.