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(S)-IBD3540

Chemical Structure : (S)-IBD3540

CAS No.: 2676156-11-7

(S)-IBD3540 ((S)-IBD 3540, IBD3540 S-form)

Catalog No.: PC-38667Not For Human Use, Lab Use Only.

(S)-IBD3540 is a potent, gut-restricted and orally active small molecule glutamate carboxypeptidase II (GCPII) inhibitor with IC50 of 4 nM, demonstrates anti-colitis activity in both acute and chronic mouse colitis models.

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

    Biological Activity

    (S)-IBD3540 is a potent, selective, gut-restricted and orally active small molecule glutamate carboxypeptidase II (GCPII) inhibitor with IC50 of 4 nM (human GCPII).
    (S)-IBD3540 does not have any concerning off-target activities using the industry standard Eurofins CEREP SafetyScreen44 panel at 10 uM.
    (S)-IBD3540 dispalys 150-fold enhanced potency relative to (R)-IBD3540 (IC50=600 nM).
    (S)-IBD3540 exhibits enantiospecific inhibition corresponding to the absolute configuration of l-glutamate in the binding pocket.
    (S)-IBD3540 achieves high colon concentrations with low systemic exposure in both normal and colitic mice.
    (S)-IBD3540 (10, or 100 mg/kg, once daily by oral gavage) displays dose-dependent activity in the DSS colitis mouse model and has superior activity to constituents 2-PMPA and DCA.
    (S)-IBD3540 (100 mg/kg, once daily by oral gavage) attenuates monocytic inflammation in DSS colitis mouse models.
    (S)-IBD3540 is efficacious in established spontaneous chronic colitis in IL-10 knockout mice.

    Physicochemical Properties

    M.Wt 630.71
    Formula C31H51O11P
    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

    (2S)-5-((((4R)-4-((3R,5R,9S,10S,12S,13R,14S)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)methoxy)-5-oxo-2-(phosphonomethyl)pentanoic acid

    References

    1. Manisha Pradhan, et al. FASEB J. 2022 May;36 Suppl 1.
    2. Diane E Peters, et al. Sci Transl Med. 2023 Aug 9;15(708):eabn7491.

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