Table 2.

Chemical-Specific Parameters in the Human BDCM Model

Parameter, Units	Symbol	Value	Note
Partition coefficients, unitless
Blood:air	PBBDCM	15.97	1
Liver:blood	PLBDCM	1.93	1
Gut:blood	PGBDCM	1.93	2
Kidney:blood	PKBDCM	2.08	1
Fat:blood	PFBDCM	33.2	1
Skin:blood	PSKBDCM	2.91	3
RPTG:blood	PRPBDCM	1.93	2
PPTG:blood	PPPBDCM	0.78	1
Skin diffusion coefficient, cm/h	KBDCM	0.18	4
Skin:water partition coefficient	PWSBDCM	5.6	4
Oral absorption coefficient, h−1	KABDCM	8.3	5
Vmax CYP Liver, μg/h-pmol CYP2E1	IVVMAX	0.201	6
KM CYP Liver, μg/l	KM1BDCM	221	6
Kf GST Liver, 1/h-kg BW0.75	VFCBDCM	0.0079	7

¹Calculated by dividing rat tissue:air partition coefficient (Lilly et al., 1997) by human blood:air partition coefficient from Kenyon et al. (2016a,b).

²Gut:air and rapidly perfused tissue:air partition coefficients were assumed to be the same as liver:air.

³Skin:air partition coefficient (Haddad et al., 2006) used with human blood air partition coefficient to calculate skin:blood partition coefficient.

⁴Skin diffusion coefficient determined with method using aqueous solution across human skin (Xu et al., 2002). Skin:water partition coefficient calculated on basis of water:air partition coefficient (Batterman et al., 2002) divided by skin:air partition coefficient (Haddad et al., 2006).

⁵Estimated on basis of Tmax from oral time course data of Leavens et al. (2007) and assumed to be the same across age groups.

⁶Experimentally determined in pooled adult human microsomes as 1.74 nmoles/min–mg MSP (Kenyon et al., 2016a) and converted to 17.14 mg/h-mg MSP in (Kenyon et al., 2016b) analysis. Converted to basis of CYP 2E1 for this analysis using known average CYP2E1 content (85 pmol CYP2E1/mg MSP) for independent set of adult samples for which both CYP2E1 content and P450 content are known at the level of the individual subject Lipscomb (personal communication).

⁷Estimated from in vitro clearance of BDCM from pooled human liver cytosol (Ross and Pegram 2003).