Koenigs, Luke L. published the artcileElectrospray Ionization Mass Spectrometric Analysis of Intact Cytochrome P450: Identification of Tienilic Acid Adducts to P450 2C9, Computed Properties of 40180-04-9, the main research area is cytochrome P450 tienilate adduct mass spectrometry.
A general scheme for the purification of baculovirus-expressed cytochrome P450s (P450s) from the crude insect cell pastes has been designed which renders the P450s suitable for anal. by high-performance liquid chromatog. (HPLC) electrospray ionization mass spectrometry (ESI-MS). An HPLC/ESI-MS procedure has been developed to analyze small amounts of intact purified P 450 (P450s cam-HT, 1A1, 1A2, 2A6, 2B1, 2C9, 2C9 C175R, 3A4, 3A4-HT) and rat NADPH cytochrome P 450 reductase (P 450 reductase). The exptl. determined and predicted (based on the amino acid sequences) mol. masses (MMs) of the various proteins had identical rank orders. For each individual protein, the difference between the exptl. determined (±SD, based on experiments performed on at least 3 different days) and predicted MMs ranged from 0.002 to 0.035%. Each exptl. determined MM had a standard deviation of less than 0.09% (based on the charge state distribution). Application of this HPLC/ESI-MS technique made the detection of the covalent modification to P 450 2C9 following mechanism-based inactivation by tienilic acid possible. In the absence of glutathione, three P 450 2C9 species were detected that produced ESI mass spectra corresponding to native P 450 2C9 and both a monoadduct and a diadduct of tienilic acid to P 450 2C9. In the presence of glutathione, only native P 450 2C9 and the monoadduct were detected. Based on the observed mass shifts for the P 450 2C9/tienilic acid adducts, a mechanism for the inactivation of P 450 2C9 by tienilic acid is proposed.
Biochemistry published new progress about Molecular weight. 40180-04-9 belongs to class benzothiophene, name is 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, and the molecular formula is C13H8Cl2O4S, Computed Properties of 40180-04-9.
Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem