pK(a) Constant of Varenicline

ÜNAL G., Yeloglu I., Anilanmert B., NARİN I.

JOURNAL OF CHEMICAL AND ENGINEERING DATA, cilt.57, sa.1, ss.14-17, 2012 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 57 Sayı: 1
  • Basım Tarihi: 2012
  • Doi Numarası: 10.1021/je200405w
  • Dergi Adı: JOURNAL OF CHEMICAL AND ENGINEERING DATA
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.14-17
  • Erciyes Üniversitesi Adresli: Evet

Özet

The pK(a) constant of varenicline using a partial agonist of the nicotinic alpha 4 beta 2 acetylcholine receptor was determined potentiometrically. The pK(a) constant of varenicline was calculated as 9.22 (+/- 0.13) at I = 0.15 (NaCl), 25 +/- 1 degrees C using the Irving-Rossotti method. The experimental results were compared with theoretical ones obtained via the SPARC pK(a) calculation program. The distribution of species of the drug molecule at various pH values was demonstrated to provide experimental data of its pK(a), to be used in commenting on its biological uptake, the binding of these molecules to environmental matrices, forming chelates with metallic cations, and its analysis.

The pKa constant of varenicline using a partial agonist of the nicotinic α4β2 acetylcholine receptor was determined potentiometrically. The pKa constant of varenicline was calculated as 9.22 (± 0.13) at I = 0.15 (NaCl), 25 ± 1 °C using the Irving–Rossotti method. The experimental results were compared with theoretical ones obtained via the SPARC pKa calculation program. The distribution of species of the drug molecule at various pH values was demonstrated to provide experimental data of its pKa, to be used in commenting on its biological uptake, the binding of these molecules to environmental matrices, forming chelates with metallic cations, and its analysis.