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. 2019 Dec 20;28:105034. doi: 10.1016/j.dib.2019.105034

Table 1.

In vitro hepatic metabolism data for a panel of triazole-based NAMPT inhibitors.

Compound Structure [M+H]+ Metabolic stabilitya Revealed metabolic pathwaysb
RLM HLM Pyridine
N-oxidation		 Aromatic
oxidation		 Aliphatic oxidation Hydrolysis Other
A1 Image 1 441 51 72 ● ◌ ● ◌
A2 Image 2 454 30 84 ● ◌ ● ◌
A3 Image 3 460 21 78 ● ● ● ◌
A4 Image 4 460 46 91 ● ● ● ◌
A5 Image 5 426 62 92 ● ● ● ◌
A6 Image 6 440 45 88 ● ● ● ◌ Oxidative
N-dealkylation
E1 Image 7 400 23 60 ● ● ◌ ◌
E2 Image 8 413 8 32 ◌ ● ● ◌
E3 Image 9 433 70 94 ● ● ● ◌
E4 Image 10 433 77 >99 ◌ ● ● ◌
E5 Image 11 399 31 49 ● ● ● ◌
E6 Image 12 413 14 61 ● ● ● ◌
E7 Image 13 427 16 84 ● ● ● ◌
C1 Image 14 442 66 (61)c 67 (87)c ● ● ● ●
C2 Image 15 476 69 (92)c 90 ● ● ◌ ●
C3 Image 16 456 60 (89)c 86 (92)c ● ● ● ●
U1 Image 17 441 79 95 ● ● ● ◌
U2 Image 18 455 60 85 ● ● ● ◌
U3 Image 19 475 95 96 ● ● ● ◌
S1 Image 20 490 62 78 ● ● ● ◌ Oxidative
N-dealkylation
S2 Image 21 499 45 80 ● ◌ ● ◌ Oxidative
N-dealkylation
S3 Image 22 496 76 84 ● ◌ ● ◌ Oxidative
N-dealkylation
N1 Image 23 446 38 74 ● ◌ ● ◌ Oxidative
N-dealkylation
T1 Image 24 464 47 87 ● ● ● ◌
a

The metabolic stability was assessed by incubating each compound at 50 μM concentration with rat (RLM) or human (HLM) liver microsomes in the presence or absence of NADPH-regenerating system [4]. Residual substrate percentage was evaluated by LC-UV analysis measuring the remaining substrate after incubation.

b

For structural characterization of the metabolites, all samples were analyzed by LC-ESI-MSn.

c

Residual substrate in incubations without the presence of NADPH-regenerating system.