Enpp-1-IN-12

• CAT Number: I043574
• CAS Number: 2631703-41-6
• Molecular Formula: C16H18N6O3S
• Molecular Weight: 374.42
• Purity: ≥95%
• Synonyms: 2-[(6-amino-1H-imidazo[4,5-c]pyridin-4-yl)sulfanyl]-N-(4-hydroxy-3-methoxyphenyl)butanamide
• InChI: InChI=1S/C17H19N5O3S/c1-3-13(16(24)21-9-4-5-11(23)12(6-9)25-2)26-17-15-10(19-8-20-15)7-14(18)22-17/h4-8,13,23H,3H2,1-2H3,(H2,18,22)(H,19,20)(H,21,24)
• InChIKey: RNUIUMFFADRQAR-UHFFFAOYSA-N
• SMILES: CCC(C(=O)NC1=CC(=C(C=C1)O)OC)SC2=C3C(=CC(=N2)N)NC=N3

Enpp-1-IN-12 (compound 43) is a potent and orally active ecto-nucleotide pyrophosphatase/phosphodiesterases 1 (ENPP1) inhibitor, with a Ki of 41 nM. Enpp-1-IN-12 exhibits anti-tumor activity[1].
Enpp-1-IN-12 (5 μM) exhibits half-life and intrinsic clearance of >120 min and <11.55 μL/min/million cells and 61.88 min and 22.4 μL/min/million cells in human and mouse hepatocytes, respectively[1].
Enpp-1-IN-12 (100 mg/kg; p.o.) inhibits tumor growth in LLC1 syngeneic murine tumor model for lung cancer[1].
Enpp-1-IN-12 (10 mg/kg; p.o.) exhibits moderate oral bioavailability (F=45.1%), half-life (t1/2=1.04 h), and Cmax (303.10 ng/mL) in healthy female BALB/c mice[1].
Enpp-1-IN-12 (1 mg/kg; i.v.) exhibits half-life (t1/2=0.76 h), Cmax (308.64 ng/mL), and CL of 73.22 mL/min/kg in healthy female BALB/c mice[1].

Reference

[1]. Gangar M, et, al. Design, synthesis and biological evaluation studies of novel small molecule ENPP1 inhibitors for cancer immunotherapy. Bioorg Chem. 2022 Feb;119:105549.
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