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    TAK-828F
    TAK-828F

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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 #: V4587
    CAS #: 1854901-94-2 (free base)Purity ≥98%

    Description: TAK-828F is a novel, potent, selective, and orally bioavailable retinoic acid receptor-related orphan receptor γt (RORγt) inverse agonist with binding IC50 of 1.9 nM and reporter gene IC50 of 6.1 nM. TAK-828F shows excellent RORγt isoforms selectivity (>5000-fold selectivity against human RORα and RORβ). TAK-828F showed potent RORγt inverse agonistic activity, excellent selectivity against other ROR isoforms and nuclear receptors, and a good pharmacokinetic profile. In animal studies, oral administration of compound 10 exhibited robust and dose-dependent inhibition of IL-17A cytokine expression in a mouse IL23-induced gene expression assay. Furthermore, development of clinical symptoms in a mouse experimental autoimmune encephalomyelitis model was significantly reduced. Compound 10 was selected as a clinical compound for the treatment of Th17-driven autoimmune diseases.

    References:  2018 Apr 12;61(7):2973-2988. 

    Related CAS : 1854901-94-2 (free base); 1854902-31-0 (sulfate); 1854902-23-0 (TAK-828F : sulfate : hydrate 2 : 2 : 1); 1854902-24-1 (TAK-828F : sulfate : hydrate 1:1:1)  

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    TAK-828F

    Name: TAK-828F
    CAS#: 1854901-94-2 (free base)
    Chemical Formula: C28H32FN3O5
    Exact Mass: 509.2326
    Molecular Weight: 509.5784
    Elemental Analysis: C, 66.00; H, 6.33; F, 3.73; N, 8.25; O, 15.70
    Storage-20℃ for 3 years in powder form
    -80℃ for 2 years in solvent
    Technical InformationSynonym: TAK-828F; TAK 828F; TAK828F;
    IUPAC/Chemical Name: [ cis-3-({(5R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl}carbonyl)cyclobutyl]acetic Acid
    InChi Key: ICMFYVOUDGRBLG-VFHHBZAHSA-N
    InChi Code: InChI=1S/C28H32FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-5,13-15,17,25H,6-12H2,1-3H3,(H,30,35)(H,33,34)/t15-,17+,25-/m1/s1
    SMILES Code: O=C(O)C[[email protected]]1C[[email protected]@H](C(N2[[email protected]@H](C(NC3=CC(CC4)=C(C(F)=C3)C4(C)C)=O)C5=C(N=C(OC)C=C5)CC2)=O)C1


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