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    InvivoChem Cat #: V4466
    CAS #: 1892576-58-7 Purity ≥98%

    Description: PF-06747711 is a novel, potent, selective, and orally bioactive retinoic acid receptor-related orphan C2 (RORC2, also known as RORγt) inverse agonist, with an IC50 of 4.1 nM. It was identified from a high-throughput screening and displayed promising binding affinity for RORC2, inhibition of IL-17 production in Th17 cells, and selectivity against the related RORA and RORB receptor isoforms. Lead optimization to improve the potency and metabolic stability of this hit focused on two key design strategies, namely, iterative optimization driven by increasing lipophilic efficiency and structure-guided conformational restriction to achieve optimal ground state energetics and maximize receptor residence time. This approach successfully identified PF-06747711 as a potent and selective RORC2 inverse agonist, demonstrating good metabolic stability, oral bioavailability, and the ability to reduce IL-17 levels and skin inflammation in a preclinical in vivo animal model upon oral administration. Anti-skin inflammatory activity. The nuclear hormone receptor retinoic acid receptor-related orphan C2 (RORC2, also known as RORγt) is a promising target for the treatment of autoimmune diseases. A small molecule, inverse agonist of the receptor is anticipated to reduce production of IL-17, a key proinflammatory cytokine. 

    References:  2018 Dec 13;61(23):10415-10439.

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    Name: PF-06747711
    CAS#: 1892576-58-7
    Chemical Formula: C26H26F3N5O2
    Exact Mass: 497.2039
    Molecular Weight: 497.5222
    Elemental Analysis: C, 62.77; H, 5.27; F, 11.46; N, 14.08; O, 6.43
    Storage-20℃ for 3 years in powder form
    -80℃ for 2 years in solvent
    Technical InformationSynonym: PF-06747711; PF 06747711; PF06747711
    IUPAC/Chemical Name: 3-Cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
    InChi Code: InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)
    SMILES Code: O=C(NC1=CN=C(N(C)C=C2C3CCN(C(C(C)C)=O)CC3)C2=C1C(F)(F)F)C4=CC=CC(C#N)=C4

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     2018 Dec 13;61(23):10415-10439.


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