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2767124-77-4

2767124-77-4 Structure

2767124-77-4 Structure
IdentificationBack Directory
[Name]

1H-Inden-1-one, 2,3-dihydro-4,6-dimethoxy-3-(4-methoxyphenyl)-, (3R)-
[CAS]

2767124-77-4
[Synonyms]

(R)-STU104
1H-Inden-1-one, 2,3-dihydro-4,6-dimethoxy-3-(4-methoxyphenyl)-, (3R)-
[Molecular Formula]

C18H18O4
[MOL File]

2767124-77-4.mol
[Molecular Weight]

298.33
Chemical PropertiesBack Directory
[Boiling point ]

454.7±45.0 °C(Predicted)
[density ]

1.187±0.06 g/cm3(Predicted)
[form ]

Solid
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

(R)-STU104 is a potent and orally active TAK1-MKK3 interaction inhibitor with IC50s of 0.58 μM and 4.0 μM for TNF-α and MKK3 phosphorylation. (R)-STU104 suppresses the TAK1/MKK3/p38/MnK1/MK2/elF4E signal pathways through binding with MKK3 and disrupting the TAK1 phosphorylating MKK3. (R)-STU104 can be used for researching ulcerative colitis[1].
[in vivo]

(R)-STU104 (1, 3 and 10 mg/kg; IG for 7 days) ameliorates the symptoms of DSS-induced experimental colitis in mice, and significantly inhibits inflammatory cytokine protein[1].
Pharmacokinetic Parameters of (R)-STU104 in male C57 mice[1].

IV (5 mg/kg)PO (30 mg/kg)
Tmax (h)0.083
AUC0-t (μg/L·h)72499895
AUC0-∞ (μg/L·h)863516991
MRT0-∞ (h)7.3212.52
Cmax (ng/mL)29202290
t1/2 (ng/mL)9.298.67
VZ (L/kg)7.763.68
CLZ (ng/mL)0.580.29
F (%)33%
Animal Model:C57BL/6 mice (dextran sodium sulfate (DSS)-induced acute ulcerative colitis)[1]
Dosage:1, 3 and 10 mg/kg
Administration:IG, for 7 days
Result:Ameliorated the symptoms of DSS-induced experimental colitis, and significantly inhibited inflammatory cytokine protein TNF-α, IL-1β, IL-6, and IL-23.
[References]

[1] Tang ML, et al. Discovery of First-in-Class TAK1-MKK3 Protein-Protein Interaction (PPI) Inhibitor (R)-STU104 for the Treatment of Ulcerative Colitis through Modulating TNF-α Production. J Med Chem. 2022 May 12;65(9):6690-6709. DOI:10.1021/acs.jmedchem.1c02198
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Inden-1-one, 2,3-dihydro-4,6-dimethoxy-3-(4-methoxyphenyl)-, (3R)-(2767124-77-4)1HNMR
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