Karami, Thomas K. published the artcileEyes on Lipinski′s Rule of Five: A New “”Rule of Thumb”” for Physicochemical Design Space of Ophthalmic Drugs, Formula: C8H18O, the main research area is ophthalmic drug delivery physicochem design space solubility; ocular permeability thermodn property; formulation; ocular permeability; ophthalmic drug delivery; physicochemical design space; solubility.
The study objective was to investigate mol. thermodn. properties of approved ophthalmic drugs and derive a framework outlining physicochem. design space for product development. Unlike the methodol. used to obtain mol. descriptors for assessment of drug-like properties by Lipinskiâ²s Rule of 5 (Ro5), this work presents a retrospective approach based on in silico anal. of mol. thermodn. properties beyond Ro5 parameters (ie, free energy of distribution/partitioning in octanol/water, dynamic polar surface area, distribution coefficient, and solubility at physiol. pH) by using 145 marketed ophthalmic drugs. The studyâ²s focus was to delineate inherent mol. parameters explicitly important for ocular permeability and absorption from topical eye drops. A comprehensive parameter distribution anal. on ophthalmic drugsâ?mol. properties was performed. Frequencies in distribution analyses provided groundwork for physicochem. parameter limits of mol. thermodn. properties having impact on corneal permeability and topical ophthalmic drug delivery. These parameters included free energy of partitioning (ÎGo/w) calculated based on thermodn. free energy equation, distribution coefficient at physiol. pH (clog DpH7.4), topol. polar surface area (TPSA), and aqueous solubility (Sint, SpH7.4) with boundaries of clog DpH7.4 â?4.0, TPSA â?250 à 2, ÎGo/w â?20 kJ/mol (4.8 kcal/mol), and solubility (Sint and SpH7.4) â?1 μM, resp. The theor. free energy of partitioning model streamlined calculation of changes in the free energy of partitioning, Î(ÎGo/w), as a measure of incremental improvements in corneal permeability for congeneric series. The above parameter limits are proposed as “”rules of thumb”” for topical ophthalmic drugs to assess risks in developability.
Journal of Ocular Pharmacology and Therapeutics published new progress about Absorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts