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DDD01510706

Chemical Structure : DDD01510706

CAS No.: 2170696-76-9

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DDD01510706 (DDD706, PfKRS1 inhibitor 5)

Catalog No.: PC-49292Not For Human Use, Lab Use Only.

DDD01510706 is a small molecule inhibitor of PfKRS (Plasmodium falciparum Lysyl tRNA Synthetase) with pIC50 of 6.62, interacts with the ATP binding site of PfKRS, inhibits plasmodium falciparum asexual blood-stage (ABS) parasite strain Dd2 with EC50 of 0.3 uM.

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Purity & Documentation Purity: >98% (HPLC) Select Batch:

    Biological Activity

    DDD01510706 (DDD706) isa potent, selective inhibitor of apicomplexan lysyl-tRNA synthetase (KRS) with IC50 of 0.015 uM and 0.13 uM for PfKRS1 and CpKRS respectively, Pf(3D7) EC50 of 0.27 uM.
    DDD706 is selective over (human) HsKRS (IC50=1.8 uM).
    DDD706 is active against both PfKRS1 (IC50 = 0.015 μM) and whole-cell bloodstream P. falciparum 3D7 (EC50 = 0.27 μM) and is selective compared with both the HsKRS (IC50 = 1.8 μM) and HepG2 cells (EC50 = 49 μM).
    DDD706 shows activity against parasites resistant to chloroquine Pf(K1) (EC50 = 0.51 μM) or atovaquone Pf(TM90C2B) (EC50 = 0.52 μM) is similar to the drug-sensitive strain Pf(NF54) (EC50 = 0.39 μM).
    DDD706 shows comparable activity in liver schizonts (P. vivax liver schizont EC50 = 0.95 μM) to asexual blood stages.
    DDD706 shows in vivo activity in mouse models of malaria and cryptosporidiosis infections.

     

    Physicochemical Properties

    M.Wt 355.313
    Formula C17H16F3NO4
    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

    N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-6-fluoro-4-oxo-4H-chromene-2-carboxamide

    References

    1. Rachel Milne, et al. ACS Infect. Dis. 2022.
    2, Baragaña B, et al. Proc Natl Acad Sci U S A. 2019 Apr 2;116(14):7015-7020.

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