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ChemicalBook--->CAS DataBase List--->454453-49-7

454453-49-7

454453-49-7 Structure

454453-49-7 Structure
IdentificationBack Directory
[Name]

kobe-2602
[CAS]

454453-49-7
[Synonyms]

CS-1280
kobe2602
kobe-2602
kobe 2602
kobe2602, >96%
Kobe 2602, >=98%
KOBE 2602; KOBE-2602
2-[2,6-Dinitro-4-(trifluoroMethyl)phenyl]-N-(4-fluorophenyl)hydrazinecarbothioaMide
Hydrazinecarbothioamide, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-
kobe-2602 2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)hydrazinecarbothioamide
[Molecular Formula]

C14H9F4N5O4S
[MDL Number]

MFCD04109605
[MOL File]

454453-49-7.mol
[Molecular Weight]

419.31
Chemical PropertiesBack Directory
[Boiling point ]

450.8±55.0 °C(Predicted)
[density ]

1.691±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

insoluble in H2O; ≥17 mg/mL in DMSO; ≥17.53 mg/mL in EtOH with ultrasonic
[form ]

solid
[pka]

9.35±0.70(Predicted)
[color ]

Light yellow to brown
Hazard InformationBack Directory
[Uses]

Kobe 2602 is used in the preparation of pyrazolidine or pyrazole compounds which exhibit mild antimicrobial effects against various strains of bacteria.
[Biological Activity]

kobe2602 is a small-molecule inhibitor of ras with ki value of 149 μm [1].kobe2602 is a compound screened out by a computer-assisted search of about 160,000 compounds. it dose-dependently inhibited the binding of h-rasg12v to c-raf-1 in nih 3t3 cells with a rough ic50 value of 10 μm. 20 μm of kobe2602 effectively suppressed the phosphorylation of down-stream kinases of raf, including mek and erk. besides that, in nih 3t3 cells transfected with h-rasg12v, kobe2602 inhibited the colony formation with ic50 value of 1.4 μm. kobe2602 also showed effect on other cancer cells carrying activated ras oncogenes, such as panc-1(k-rasg12v), ht1080 (n-rasq61l) and hct116 (h-rasg13d). moreover, in mice bearing sw480 xenografts, administration of kobe2602 resulted in 40-50% inhibition of the tumor growth at dose of 80 mg/kg [1].
[References]

[1] shima f, yoshikawa y, ye m, et al. in silico discovery of small-molecule ras inhibitors that display antitumor activity by blocking the ras–effector interaction. proceedings of the national academy of sciences, 2013, 110(20): 8182-8187.
Spectrum DetailBack Directory
[Spectrum Detail]

kobe-2602(454453-49-7)1HNMR
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