Zafar Shaista, Akhtar Shamim, Tariq Talat, Mushtaq Noushin, Akram Arfa, Ahmed Ahsaan, Arif Muhammad, Naeem Sabahat, Anwar Sana
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Karachi, Karachi, Pakistan.
Department of Chemistry, Federal Urdu University of Science and Technology, Karachi, Pakistan.
Pak J Pharm Sci. 2014 Jul;27(4):925-9.
Dissociation constant (pKa) of ten novel phenacyl derivatives of piperidine were determined by potentiometric titration method in aqueous medium at room temperature (25 ±0.5°C). The sample solutions were prepared in deionized water with ionic strength 0.01M and titrated with 0.1M NaOH solution. In addition, ΔG values were also calculated. Different prediction software programs were used to calculate pKa values too and compared to the experimentally observed pKa values. The experimental and theoretical values were found in close agreement. The results obtained in this research would help to predict the good absorption of the studied compounds and can be selected as lead molecules for the synthesis of CNS active agents because of their lipophilic nature especially compound VII.
在室温(25±0.5°C)下,采用电位滴定法在水介质中测定了十种新型哌啶苯甲酰衍生物的解离常数(pKa)。样品溶液用离子强度为0.01M的去离子水配制,并用0.1M氢氧化钠溶液滴定。此外,还计算了ΔG值。也使用不同的预测软件程序来计算pKa值,并与实验观察到的pKa值进行比较。发现实验值和理论值非常吻合。本研究获得的结果将有助于预测所研究化合物的良好吸收,并且由于其亲脂性,特别是化合物VII,可被选作合成中枢神经系统活性剂的先导分子。