Chemistry is an experimental science, Computed Properties of C12H12N2O2, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 34052-90-9, Name is 1,3-Bis(4,5-dihydrooxazol-2-yl)benzene, molecular formula is C12H12N2O2, belongs to oxazolidines compound. In a document, author is Cruz-Hurtado, Marycarmen.
In vitro phase I metabolism of vinclozolin by human liver microsomes
1. Vinclozolin (Vin) is a fungicide used in agricultural settings and is classified as an endocrine disruptor. Vin is non-enzymatically hydrolyzed to 2-[[(3,5-dichlorophenyl)-carbamoyl]oxy]-2-methyl-3-butenoic acid (M1) and 3′,5′-dichloro-2-hydroxy-2-methylbut-3-enanilide (M2) metabolites. There is no information about Vin biotransformation in humans, therefore, the aim of this study was to characterize its in vitro metabolism using human liver microsomes. 2. Vin was metabolized to the [3-(3,5-dichlorophenyl)-5-methyl-5-(1,2-dihydroxyethyl)-1,3-oxazolidine-2,4-dione] (M4) and N-(2,3,4-trihydroxy-2-methyl-1-oxo)-3,5-dichlorophenyl-1-carbamic acid (M7) metabolites, which are unstable and gradually converted to 3 ‘,5 ‘-dichloro-2,3,4-trihydroxy-2-methylbutyranilide (DTMBA, formerly denoted as M5). M4 and DTMBA metabolites co-eluted in the same HPLC peak; this co-elute peak exhibited a Michaelis-Menten kinetic, whereas M7 showed a substrate inhibition kinetics. The K-M app for co-eluted M4/DTMBA and M7 was 24.2 +/- 5.6 and 116.0 +/- 52.6 mu M, the V-Max app was 0.280 +/- 0.015 and 0.180 +/- 0.060 nmoles/min/mg protein, and the CLint app was 11.5 and 1.5 mL/min/g protein, respectively. The K-i for M7 was 133.2 +/- 63.9 mu M. Cytochrome P450 (CYP) chemical inhibitors furafylline (CYP1A2), ketoconazole (CYP3A4), pilocarpine (CYP2A6) and sulfaphenazole (CYP2C9) inhibited M4/DTMBA and M7 formation, suggesting that Vin is metabolized in humans by CYP. 3. DTMBA is a stable metabolite and specific of Vin, therefore, it could be used as a biomarker of Vin exposure in humans to perform epidemiological studies.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 34052-90-9, in my other articles. Computed Properties of C12H12N2O2.
Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem