1,7-Diaminoheptan-4-on-aethylenketal | 36844-26-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,7-Diaminoheptan-4-on-aethylenketal
• 英文别名: 1,7-Diaminoheptan-4-on-ethylenketal；3,3'-[1,3]dioxolane-2,2-diyl-bis-propylamine；3-[2-(3-Aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine
• CAS: 36844-26-5
• 化学式: C₉H₂₀N₂O₂
• 分子量: 188.27
• InChiKey: NRYUUJAVVRZRGN-UHFFFAOYSA-N

物化性质

• 沸点：
  287.5±15.0 °C(Predicted)
• 密度：
  1.019±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-吡啶二甲酰氯 、 1,7-Diaminoheptan-4-on-aethylenketal 以 苯 为溶剂， 生成 5,9-diaza-1(2,2)-[1,3]dioxolana-7(2,6)-pyridina-cyclododecaphane-6,8-dione
  参考文献：
  名称：

  吡啶核苷酸辅酶的模型。桥联的二烟酰胺衍生物的合成和性质。

  摘要：

  DOI：

  10.1021/jo00956a031

文献信息

• N,N'-Heptamethylenebis(4-methoxybenzamide)
  申请人：Sterling Drug Inc.

  公开号：US04009208A1

  公开（公告）日：1977-02-22

  4-(Q-O)-4'-R.sub.1 -N,N'-alkylenebis(benzamides), N,N'-alkylenebis(3,4-methylenedioxybenzamides) or N,N'-alkylenebis[4-(lower-alkoxy)benzamides], having endocrinological properties, where Q is lower-alkyl, lower-alkoxyalkyl, lower-alkenyl, halo-lower-alkyl, halo-lower-alkenyl, lower-cycloalkyl, phenyl and BN-(lower-alkyl) where BN is di-(lower-alkyl)amino or a saturated N-heteromonocyclic radical having from five to seven ring atoms and alkylene has at least five carbon atoms between its two connecting linkages and R.sub.1 is Q-O-, hydrogen, lower-alkoxy, lower-alkyl, halo, benzyloxy, hydroxy, di-(lower-alkyl)amino, nitro, amino or trihalomethyl are prepared preferably by reacting the appropriate diamine or N-(aminoalkyl)-benzamide with two or one molar equivalents, respectively, of the appropriate benzoyl halide.

  4-(Q-O)-4'-R.sub.1 -N,N'-烷基亚苯二酰胺，N,N'-烷基亚苯二酰胺或N,N'-烷基亚苯二酰胺[4-(较低烷氧基)苯二酰胺]，具有内分泌学性质，其中Q为较低烷基，较低烷氧基烷基，较低烯基，卤代较低烷基，卤代较低烯基，较低环烷基，苯基和BN-(较低烷基)，其中BN为二(较低烷基)氨基或具有五至七个环原子的饱和N-杂环烷基基团，烷基在其两个连接链之间至少有五个碳原子，R.sub.1为Q-O-，氢，较低烷氧基，较低烷基，卤素，苄氧基，羟基，二(较低烷基)氨基，硝基，氨基或三卤甲基，最好通过将适当的二胺或N-(氨基烷基)-苯二酰胺与相应的苯甲酰卤反应制备两个或一个摩尔当量。
• Multi-Target-Directed Drug Design Strategy: From a Dual Binding Site Acetylcholinesterase Inhibitor to a Trifunctional Compound against Alzheimer’s Disease
  作者：Maria Laura Bolognesi、Andrea Cavalli、Luca Valgimigli、Manuela Bartolini、Michela Rosini、Vincenza Andrisano、Maurizio Recanatini、Carlo Melchiorre

  DOI：10.1021/jm701225u

  日期：2007.12.27

  A design strategy to convert a dual-binding site AChE inhibitor into triple functional compounds with promising in vitro profile against multifactorial syndromes, such as Alzheimer's disease, is proposed. The lead compound bis(7)-tacrine (2) was properly modified to confer to the new molecules the ability of chelating metals, involved in the neurodegenerative process. The multifunctional compounds show activity against human AChE, are able to inhibit the AChE-induced amyloid-beta aggregation, and chelate metals, such as iron and copper.