tak-828f

InvivoChem Cat #:V4587CAS #:1854901-94-2 (free base)Purity >=98%

Description: TAK-828F is a novel, potent, selective, and orally bioavailable retinoic acid receptor-related orphan receptor gammat (RORgammat) inverse agonist with binding IC50 of 1.9 nM and reporter gene IC50 of 6.1 nM. TAK-828F shows excellent RORgammat isoforms selectivity (> 5000-fold selectivity against human RORalpha and RORbeta). TAK-828F showed potent RORgammat 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: J Med Chem. 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)

-20C for 3 years in powder form

Synonym: 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[CH]1C[CH](C(N2[CH](C(NC3=CC(CC4)=C(C(F)=C3)C4(C)C)=O)C5=C(N=C(OC)C=C5)CC2)=O)C1