Bochmann, Esther S. published the artcileMicro-scale solubility assessments and prediction models for active pharmaceutical ingredients in polymeric matrices, Quality Control of 72509-76-3, the main research area is polyvinylpyrrolidone polyvinyl acetate active pharmaceutical ingredient; Amorphous solid dispersion; Bisacodyl (PubChem CID: 2391); Carbamazepine (PubChem CID: 2554); Celecoxib (PubChem CID: 2662); Cilostazol (PubChem CID: 2754); Clozapine (PubChem CID: 2818); Copovidone (PubChem CID: 25086-89-9); Data review; Dipyridamole (PubChem CID: 3108); Felodipine (PubChem CID: 3333); Gliclazide (PubChem CID: 3475); Griseofulvin (PubChem CID: 441140); Indomethacin (PubChem CID: 3715); Itraconazole (PubChem CID: 55283); Lamotrigine (PubChem CID: 3878); Loratadine (PubChem CID: 3957); Naproxen (PubChem CID: 156391); Nifedipine (PubChem CID: 4485); Posaconazole (PubChem CID: 468595); Praziquantel (PubChem CID: 4891); Prediction model; Probucol (PubChem CID: 4912); Ritonavir (PubChem CID: 392622); Solubility; Telmisartan (PubChem CID: 65999); Verapamil-HCl (PubChem CID: 62969).
The number of models for assessing the solubility of active pharmaceutical ingredients (APIs) in polymeric matrixes on the one hand and the extent of available associated data on the other hand has been rising steadily in the past few years. However, according to our knowledge an overview on the methods used for prediction and the resp. exptl. data is missing. Therefore, we compiled exptl. data, the techniques used for their determination and the models used for estimating the solubility Our focus was on polymers commonly used in spray drying and hot-melt extrusion to form amorphous solid dispersions (ASDs), namely polyvinylpyrrolidone grades (PVP), polyvinyl acetate (PVAc), vinylpyrrolidone-vinyl acetate copolymer (copovidone, COP), polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft polymer (Soluplus, SOL), different types of methacrylate copolymers (PMMA), polyethylene glycol grades (PEG) and hydroxypropyl-methylcellulose grades (HPMC). The literature data were further supplemented by our own results. The final data set included 37 APIs and two sugar derivatives The majority of the prediction models was constituted by the m.p. depression method, dissolution endpoint measurements, indirect solubility determination by Tg and the use of low mol. weight analogs. We observed that the API solubility depended more on the working group which conducted the experiments than on the measuring technique used. Furthermore, this compilation should assist researchers in choosing a prediction method suited for their investigations. Furthermore, a statistical assessment using recursive feature elimination was performed to identify descriptors of mols., which are connected to the API solubility in polymeric matrixes. It is capable of predicting the criterium 20% API soluble at 100°C (Yes/No) for an unknown compound with a balanced accuracy of 71%. The identified 8 descriptors to be connected to API solubility in polymeric matrixes were the number of hydrogen bonding donors, three descriptors related to the hydrophobicity of the mol., glass transition temperature, fractional neg. polar van der Waals surface area, out-of-plane potential energy and the fraction of rotatable bonds. Finally, in addition to our own model, the data set should help researchers in training their own solubility prediction models.
European Journal of Pharmaceutics and Biopharmaceutics published new progress about Flexibility. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, Quality Control of 72509-76-3.