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    GSK2807 TFA
    GSK2807 TFA

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    This product is for research use only, not for human use. We do not sell to patients.
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    InvivoChem Cat #: V4128
    CAS #: 2245255-66-5Purity ≥98%

    Description: GSK2807 TFA (GSK-2807 TFA), the trifluoroacetic acid salt form of GSK2807, is a selective and SAM-competitive SMYD3 inhibitor with potential antitumor activity. It inhibits SMYD3 with a Ki of 14 nM. SMYD3 is a lysine methyltransferase overexpressed in colorectal, breast, prostate, and hepatocellular tumors, and has been implicated as an oncogene in human malignancies. Methylation of MEKK2 by SMYD3 is important for regulation of the MEK/ERK pathway, suggesting the possibility of selectively targeting SMYD3 in RAS-driven cancers. Structural and kinetic characterization of SMYD3 was undertaken leading to a co-crystal structure of SMYD3 with a MEKK2-peptide substrate bound, and the observation that SMYD3 follows a partially processive mechanism. These insights allowed for the design of GSK2807, a potent and selective, SAM-competitive inhibitor of SMYD3 (Ki = 14 nM). A high-resolution crystal structure reveals that GSK2807 bridges the gap between the SAM-binding pocket and the substrate lysine tunnel of SMYD3. Taken together, the data demonstrate that small-molecule inhibitors of SMYD3 can be designed to prevent methylation of MEKK2 and these could have potential use as anticancer therapeutics.

    References

    [1]. Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets. Structure. 2016 May 3;24(5):774-781.

    [2]. Inhibitors of Protein Methyltransferases and Demethylases. Chem Rev. 2018 Feb 14;118(3):989-1068.

    Related CAS#: 2245255-65-4 (free base)


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    GSK2807 TFAName: GSK2807 TFA
    CAS#: 2245255-66-5 (TFA)
    Chemical Formula: C21H33F3N8O7
    Molecular Weight: 566.5392
    Storage-20℃ for 3 years in powder form
    -80℃ for 2 years in solvent
    Technical InformationSynonym: GSK-2807 TFA; GSK2807 trifluoroacetic acid; GSK2807 TFA; GSK-2807; GSK 2807
    Chemical Name: (S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(dimethylamino)propyl)amino)butanoic acid compound with 2,2,2-trifluoroacetic acid (1:1)
    InChi Key: FZPZIBBKUWOBTJ-CPQMNCBCSA-N
    InChi Code: InChI=1S/C19H32N8O5.C2HF3O2/c1-25(2)5-3-6-26(7-4-11(20)19(30)31)8-12-14(28)15(29)18(32-12)27-10-24-13-16(21)22-9-23-17(13)27;3-2(4,5)1(6)7/h9-12,14-15,18,28-29H,3-8,20H2,1-2H3,(H,30,31)(H2,21,22,23);(H,6,7)/t11-,12+,14+,15+,18+;/m0./s1
    SMILES Code: O=C(O)[[email protected]@H](N)CCN(C[[email protected]]1O[[email protected]@H](N2C=NC3=C(N)N=CN=C23)[[email protected]](O)[[email protected]@H]1O)CCCN(C)C.O=C(O)C(F)(F)F


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    Description: GSK2807 TFA (GSK-2807 TFA), the trifluoroacetic acid salt form of GSK2807, is a selective and SAM-competitive SMYD3 inhibitor with potential antitumor activity. It inhibits SMYD3 with a Ki of 14 nM. 

    In Vitro: GSK2807, a potent and selective, SAM-competitive inhibitor of SMYD3 (Ki = 14 nM). A high-resolution crystal structure reveals that GSK2807 bridges the gap between the SAM-binding pocket and the substrate lysine tunnel of SMYD3. GSK2807 is 24-fold selective for SMYD3 in comparison with the closely related enzyme SMYD2 (Ki=14±6 nM and 345±36 nM, respectively). SMYD3 is a lysine methyltransferase overexpressed in colorectal, breast, prostate, and hepatocellular tumors, and has been implicated as an oncogene in human malignancies. Methylation of MEKK2 by SMYD3 is important for regulation of the MEK/ERK pathway, suggesting the possibility of selectively targeting SMYD3 in RAS-driven cancers. Structural and kinetic characterization of SMYD3 was undertaken leading to a co-crystal structure of SMYD3 with a MEKK2-peptide substrate bound, and the observation that SMYD3 follows a partially processive mechanism. These insights allowed for the design of GSK2807, a potent and selective, SAM-competitive inhibitor of SMYD3 (Ki = 14 nM). A high-resolution crystal structure reveals that GSK2807 bridges the gap between the SAM-binding pocket and the substrate lysine tunnel of SMYD3. Taken together, the data demonstrate that small-molecule inhibitors of SMYD3 can be designed to prevent methylation of MEKK2 and these could have potential use as anticancer therapeutics.

    References

    [1]. Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets. Structure. 2016 May 3;24(5):774-781.

    [2]. Inhibitors of Protein Methyltransferases and Demethylases. Chem Rev. 2018 Feb 14;118(3):989-1068.


    These protocols are for reference only. InvivoChem does not independently validate these methods.

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