ChemicalBook--->CAS DataBase List--->581073-80-5

581073-80-5

581073-80-5 Structure

581073-80-5 Structure
IdentificationBack Directory
[Name]

KJ Pyr 9
[CAS]

581073-80-5
[Synonyms]

KJ Pyrq
KJ Pyr 9
4-[2-(2-Furanyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide
Benzamide, 4-[2-(2-furanyl)-6-(4-nitrophenyl)-4-pyridinyl]-
[Molecular Formula]

C22H15N3O4
[MOL File]

581073-80-5.mol
[Molecular Weight]

385.37
Chemical PropertiesBack Directory
[Boiling point ]

584.4±50.0 °C(Predicted)
[density ]

1.320±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

≤20mg/ml in DMSO;25mg/ml in dimethyl formamide
[form ]

crystalline solid
[pka]

15.34±0.50(Predicted)
[color ]

Light yellow to yellow
[InChI]

1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)
[InChIKey]

GTTDVYCKFQYVNN-UHFFFAOYSA-N
[SMILES]

[N+](=O)([O-])c1ccc(cc1)c2nc(cc(c2)c4ccc(cc4)C(=O)N)c3[o]ccc3
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-[2-(2-Furanyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide is a inhibits MYC-induced oncogenic transformation in cell culture and blocks the growth of a xenotransplant of MYC-amplified human cancer cells.
[Biological Activity]

mkj pyr 9 is a novel small molecule inhibitor of myc, with the kd value of 6.5 ± 1.0 nm. besides, kj pyr 9 also suppresses the formation of myc-max and oncogenic transformation induced by myc in cell culture [1].
[in vitro]

in chicken embryo fibroblasts, kj pyr 9 was found to have the ability to interfere with the oncogenic activity of myc, with the best aqueous solubility. besides, in human b-cell line p493-6, 20 μm kj pyr 9 could significantly inhibit cell proliferation, and kj pyr 9 could also inhibit the proliferation of nci-h460, mda-mb-231, and sum-159pt cell lines, with the ic50 values between 5-10 μm. furthermore, treatment of p493-6 cells with kj pyr 9 could significantly suppress the transcription ability of myc [1].
[in vivo]

kj pyr 9 was found to have no acute toxicity in mouse and rat at a dose of 10 mg/kg, with an impressive ability to cross the blood-brain barrier. besides, in a mda-mb-231 cells xenograft tumor nude mice model, intraperitoneal injection with 10 mg/kg kj pyr 9 for 31 days could significantly inhibit tumor growth, while having no effect on the body weight [1].
[target]

myc
[storage]

Store at +4°C
[References]

[1] hart j r, garner a l, yu j, et al. inhibitor of myc identified in a kr?hnke pyridine library[j]. proceedings of the national academy of sciences, 2014, 111(34): 12556-12561.
Spectrum DetailBack Directory
[Spectrum Detail]

KJ Pyr 9(581073-80-5)1HNMR
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