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Inhibitor Report for: 1G244

This compound is a potent and selective inhibitor of dipeptidyl-peptidases 8 and 9 (DPP8/9). This is the (S)-isomer of compound 18 [PMID: 15664838].


General
Type Piperazine, Isoindole
Chemical_Nomenclature (2S)-2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
Canonical SMILES C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CC(C(=O)N4CC5=CC=CC=C5C4)N
InChI InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2/t26-/m0/s1
InChIKey ZKIQFLSGMMYCGS-SANMLTNESA-N
Other name(s) CHEMBL1814633 ; GTPL8551 ; C29H30N4O2F2 ; MolPort-035-706-578 ; BDBM50350169
________________________________________________________________________________________________
MW|504.57
Formula|C29H30F2N4O2
CAS_number|
PubChem|56658139
UniChem|ZKIQFLSGMMYCGS-SANMLTNESA-N
IUPHAR|8551
Wikipedia|

Target
Families | 1G244 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 2 structures: 6TRX, 6EOR
Protein | human-DPP8, human-DPP9

References:
Search PubMed for references concerning: 1G244

3 more
    Title: Decrease of the pro-inflammatory M1-like response by inhibition of dipeptidyl peptidases 8/9 in THP-1 macrophages - quantitative proteomics of the proteome and secretome
    Suski M, Wisniewska A, Kus K, Kiepura A, Stachowicz A, Stachyra K, Czepiel K, Madej J, Olszanecki R
    Ref: Mol Immunol, 127:193, 2020 : PubMed

            

    Title: Dipeptidyl peptidase 9 (DPP9) in human skin cells
    Gabrilovac J, Cupic B, Zapletal E, Kraus O, Jakic-Razumovic J
    Ref: Immunobiology, 222:327, 2017 : PubMed

            

    Title: Biochemistry, pharmacokinetics, and toxicology of a potent and selective DPP8/9 inhibitor
    Wu JJ, Tang HK, Yeh TK, Chen CM, Shy HS, Chu YR, Chien CH, Tsai TY, Huang YC and Chen X <5 more author(s)>
    Ref: Biochemical Pharmacology, 78:203, 2009 : PubMed