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H3B-616

Chemical Structure : H3B-616

CAS No.: 2468199-06-4

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H3B-616 (H3B 616)

Catalog No.: PC-38213Not For Human Use, Lab Use Only.

H3B-616 (H3B 616) is a potent, selective allosteric inhibitor of carbamoyl phosphate synthetase 1 (CPS1) with IC50 of 66 nM, demonstrates no appreciable inhibition of CPS2 (IC50>100 uM).

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    Biological Activity

    H3B-616 (H3B 616) is a potent, selective allosteric inhibitor of carbamoyl phosphate synthetase 1 (CPS1) with IC50 of 66 nM, demonstrates no appreciable inhibition of CPS2 (IC50>100 uM).
    H3B-616 demonstrated robust cellular inhibition of CPS1 with IC50 of 0.24 uM in cellular assays.
    H3B-616 also showed a significant improvement in human hepatocyte stability (8.7 vs 35 μL/min/10-6 cells), favorable permeability (Caco2 A-B=12.3 × 10–6 cm/s), and good kinetic solubility (148 μM, pH 7.4).

    Physicochemical Properties

    M.Wt 409.461
    Formula C23H24FN3O3
    Appearance Solid
    CAS No.
    Storage
    Solide Powder
    -20°C 12 Months; 4°C 6 Months
    In Solvent
    -80°C 6 Months; -20°C 6 Months
    Shipping
    Solubility

    10 mM in DMSO
    Chemical Name/SMILES

    ((2R,6R)-4-(1H-indole-6-carbonyl)-2,6-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone

    References

    1. Rolfe A, et al. ACS Med Chem Lett. 2020 May 26;11(6):1305-1309.

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