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19
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77955422668
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note
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The human CYP11B1 and CYP11B2 homology models were constructed using crystal structure of CYP3A4 (PDB code 1TQN ) as a template. Model construction was done using Prime version 1.5, Schrödinger, LLC, New York, NY. In the generated models, the loops were first refined using the PRIME structure refinement tool followed by stepwise minimization using the OPLS forcefield. The parameters for heme were generated using the hetgrpffgen utility available from Schrödinger.
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20
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77955419378
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note
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All compounds depicted are single isomers (i.e., >98% de and/or >98% ee) unless otherwise noted. The separation of stereoisomers was accomplished via HPLC, employing columns with chiral stationary phases.
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-
-
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21
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77955423096
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note
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Typically, the enantiomeric configuration was not determined. The data reported in this manuscript relates to the enantiomer with the preferred in vitro profile.
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23
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77955415217
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A more detailed discussion of the development of this series will be reported in due course
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A more detailed discussion of the development of this series will be reported in due course.
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24
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0032733974
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1/2) was derived by monitoring the disappearance of test compound over a short period of time (e.g., 30 min). See: R.S. Obach Drug Metab. Dispos. 27 1999 1350
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Drug Metab. Dispos.
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Obach, R.S.1
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J.C. Kalvass, D.A. Tess, C. Giragossian, M.C. Linhares, and T.S. Maurer Drug Metab. Dispos. 29 2001 1332
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27
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0034009448
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M.B. Fisher, K. Campanale, B.L. Ackermann, M. VandenBranden, and S.A. Wrighton Drug Metab. Dispos. 28 2000 560
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28
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0034633287
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The human CYP19 assay was performed according to the method of: D.M. Stresser, S.D. Turner, J. McNamara, P. Stocker, V.P. Miller, C.L. Crespi, and C.J. Patten Anal. Biochem. 284 2000 427
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Patten, C.J.7
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29
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77955425349
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note
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Metabolite identification: Test articles were incubated in pooled human liver microsomes (BD Gentest, Woburn, MA) in the presence of cofactors, such as NADPH (oxidative metabolism) and UDPGA (conjugated metabolism). Following in vitro incubation and protein precipitation, samples were analyzed by LC/MS/MS for detection and characterization of the metabolites formed.
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30
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77955425003
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This compound was profiled as the racemate
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This compound was profiled as the racemate.
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31
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44849132647
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Zimmerlin, A.8
Urban, L.9
Bojanic, D.10
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