| Identification | Back Directory | [Name]
Kobe-0065 | [CAS]
436133-68-5 | [Synonyms]
CS-1281
Kobe0065
Kobe-0065
Kobe 0065
Kobe 0065, >=98%
Kobe0065/Kobe-0065
Kobe0065, 436133-68-5
N-(3-Chloro-4-Methylphenyl)-2-[2,6-dinitro-4-(trifluoroMethyl)phenyl]-hydrazinecarbothioaMide
Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
Kobe-0065 N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazinecarbothioamide
N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazinecarbothioamide KOBE0065 | [Molecular Formula]
C15H11ClF3N5O4S | [MDL Number]
MFCD04109603 | [MOL File]
436133-68-5.mol | [Molecular Weight]
449.79 |
| Chemical Properties | Back Directory | [Melting point ]
>166°C (dec.) | [Boiling point ]
485.1±55.0 °C(Predicted) | [density ]
1.653±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
DMSO: soluble15mg/mL, clear | [form ]
powder | [pka]
9.25±0.70(Predicted) | [color ]
white to beige | [InChI]
InChI=1S/C15H11ClF3N5O4S/c1-7-2-3-9(6-10(7)16)20-14(29)22-21-13-11(23(25)26)4-8(15(17,18)19)5-12(13)24(27)28/h2-6,21H,1H3,(H2,20,22,29) | [InChIKey]
KSJVAYBCXSURMQ-UHFFFAOYSA-N | [SMILES]
N(C(NC1=CC=C(C)C(Cl)=C1)=S)NC1=C([N+]([O-])=O)C=C(C(F)(F)F)C=C1[N+]([O-])=O |
| Hazard Information | Back Directory | [Uses]
N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-hydrazinecarbothioamide is used in the preparation of pyrazolidine or pyrazole compounds which exhibit mild antimicrobial effects against various strains of bacteria. | [Biological Activity]
kobe0065 is a small-molecule inhibitor of ras with ki value of 46 μm for the binding of h-ras.gtp to c-raf-1 [1].kobe0065 is a compound screened out by an in silico screen method as a potent inhibitor of the ras–raf interaction. it showed favorite efficacy to inhibit the binding of m-ras.gtp and h-ras.gtp to the ras-binding domain of c-raf-1. kobe0065 also dose-dependently inhibited the binding of h-rasg12v to c-raf-1 in nih 3t3 cells with a rough ic50 value of 10 μm. besides that, 20 μm of kobe0065 effectively suppressed the phosphorylation of down-stream kinases of raf, including mek and erk. in nih 3t3 cells transfected with h-rasg12v, kobe0065 inhibited the colony formation with ic50 value of 0.5 μm. kobe0065 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 kobe0065 resulted in 40-50% inhibition of the tumor growth at dose of 80 mg/kg. this effect turned to be more distinct when the dose was up to 160 mg/kg [1]. | [in vivo]
Kobe0065 and Kobe2602 exhibit antitumor activity on a xenograft of human colon carcinoma SW480 cells carrying the K-ras(G12V) gene by oral administration[1]. | [IC 50]
H-Ras | [storage]
Store at -20°C | [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. |
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