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1245814-52-1

1245814-52-1 Structure

1245814-52-1 Structure
IdentificationBack Directory
[Name]

CAY10784
[CAS]

1245814-52-1
[Synonyms]

CAY10784
[Molecular Formula]

C11H6F3N3O3S
[MOL File]

1245814-52-1.mol
[Molecular Weight]

317.24
Chemical PropertiesBack Directory
[density ]

1.615±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMF: 30 mg/ml,DMF:PBS (pH 7.2) (1:2): 0.33 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml
[form ]

A crystalline solid
[pka]

5.82±0.50(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Uses]

STAT3-IN-17 is a moderate STAT3 inhibitor (IC50=0.7 μM; HEK-Blue IL-6), with antiproliferative activity in HeLa cells. STAT3-IN-17 has good pharmacokinetic characteristics. STAT3-IN-17 also inhibits pyruvate-ferredoxin oxidoreductase (PFOR), and inhibits Helicobacter pylori[1][2].
[Biological Activity]

CAY10784 is a STAT3 inhibitor (IC50 = 0.74 μM in a reporter assay) and a derivative of WP1066 .1 It inhibits proliferation of HeLa, Caco-2, A549, A375, U87MG, and HL-60 cancer cells (IC50s = 1.8, 1.8, 3, 2.8, 2.3, and 1.2 μM, respectively) but not PC3 or HT-29 cancer cells (IC50s = >10 μM for both). CAY10784 is also active against H. pylori and C. jejuni (MICs = 1.6 and 4.7 μM, respectively).2
[in vivo]

STAT3-IN-17 (compound 15) (5 mg/kg for ig, or 25 mg/kg for iv; single dose) exhibits greater pharmacokinetic properties than Nitazoxanide (HY-B0217) in rat, with a significantly longer half-life for elimination (t1/2β) (11.1 vs 0.8 h), greater absolute bioavailability (F) (87.4% vs 5.7%), and higher maximum plasma concentration (Cmax) (20.7 vs 1.0 mg/L) maximum plasma concentration (Cmax) (20.7 vs 1.0 mg/L)[1].

[IC 50]

STAT3
[storage]

-20°C
[References]

1.Lü, Z., Li, X., Li, K., et al.Structure-activity study of nitazoxanide derivatives as novel STAT3 pathway inhibitorsACS Med. Chem. Lett.(2021) 2.Ballard, T.E., Wang, X., Olekhnovich, I., et al.Synthesis and antimicrobial evaluation of nitazoxanide-based analogues: Identification of selective and broad spectrum activityChemMedChem6(2)362-377(2011)
Spectrum DetailBack Directory
[Spectrum Detail]

CAY10784(1245814-52-1)1HNMR
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