triphenylstannyl 4-(1,3-dioxoisoindolin-2-yl) benzoate | 1334395-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: triphenylstannyl 4-(1,3-dioxoisoindolin-2-yl) benzoate
• CAS: 1334395-29-7
• 化学式: C₃₃H₂₃NO₄Sn
• 分子量: 616.26
• InChiKey: DIVVYSHROZEBGT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.68
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-(4-羰苯基)酞亚酸 、 三苯基氢氧化锡 以 甲苯 为溶剂， 以68.4%的产率得到triphenylstannyl 4-(1,3-dioxoisoindolin-2-yl) benzoate
  参考文献：
  名称：

  具有间苯二甲酸和苯甲酸衍生物的三苯基锡 (IV) 羧酸盐的合成和表征：一维超分子链的 X 射线晶体结构

  摘要：

  三苯基锡 (IV) 氢氧化物与间苯二甲酸和苯甲酸衍生物、5-(1,3-二氧代-1,3-二氢-异吲哚-2-基)-间苯二甲酸 (H2L1) 和 4-(1, 3-dioxo-1,3-dihydro-isoindol-2-yl)-苯甲酸 (HL2) 生成复合物 [(SnPh3)2L1] (1) 和 [(SnPh3)L2] (2)。所有配合物均通过元素分析和 FT-IR 和 NMR（1H、13C、119Sn）光谱表征。有趣的是，发现 1 和 2 的超分子结构由分子间 C–H···O 氢键构成的一维分子链组成。还研究了它们的热稳定性。

  DOI：

  10.1002/zaac.201100048

文献信息

• Design, synthesis, molecular docking studies of organotin-drug derivatives as multi-target agents against antibacterial, antifungal, α-amylase, α-glucosidase and butyrylcholinesterase
  作者：Aamer Saeed、Pervaiz Ali Channar、Fayaz Ali Larik、Farukh Jabeen、Urooj Muqadar、Shomaila Saeed、Ulrich Flörke、Hammad Ismail、Erum Dilshad、Bushra Mirza

  DOI：10.1016/j.ica.2017.05.036

  日期：2017.8

  A series of organotin esters has been synthesized using a diverse array of drugs containing carboxylic function with triphenyl/tributyltin. The synthesized derivatives were bioevaluated for antibacterial, anti fungal and enzyme inhibition (alpha-amylase, alpha-glucosidase and butyrylcholinesterase) activities. Interestingly, compound 3c was found to be most potent in all bioassay and showed higher activity than the standards in case of antibacterial and antifungal activity.The molecular docking was utilized to ascertain the mechanism and mode of action towards the molecular targets indicating that ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. Docking simulation providing additional information about the possibilities of the inhibitory potential of the compounds against the 1j7t and 1EAI. It has been predicted by in silico calculation and investigation of the binding pattern that compound 3c can serve as the potential surrogate for hit to lead generation and design of novel antibacterial and anti-leishmanial agents. (C) 2017 Elsevier B.V. All rights reserved.