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. Author manuscript; available in PMC: 2020 Aug 24.
Published in final edited form as: J Med Chem. 2019 Apr 23;62(10):4884–4901. doi: 10.1021/acs.jmedchem.9b00193

Table 4:

In vitro metabolism of compound 23 by human and rat hepatocytes.a

graphic file with name nihms-1617532-t0013.jpg
Metabolites
M1 M2 M3 M4 M5 M6 Parent
[M+H]+, m/z 558 558 558 382 382 367 366
Δ MW +192 +192 +192 +16 +16 +1 -
Δ RT, min −4.7 −4.4 −4.0 −3.0 −2.6 +2.2 -
Proposed Reactionb moxy+ gluc moxy+ gluc moxy+ gluc moxy moxy hydrolysis -
Hepatocytes
Human <1% 1.4% - 2.5% 1.0% <1% 93.2%
Rat <1% - <1% 1.5% 1.5% 29.1% 66.8%
a

percentage of metabolite present is after 4 hour incubation with hepatocytes.

b

Abbreviations: moxy - monooxygenation; gluc -glucuronidation.