| Identification | Back Directory | [Name]
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[5-(6-quinolinyl)-1H-pyrazol-3-yl]- | [CAS]
1271418-15-5 | [Synonyms]
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[5-(6-quinolinyl)-1H-pyrazol-3-yl]- | [Molecular Formula]
C27H27N7O | [MOL File]
1271418-15-5.mol | [Molecular Weight]
465.55 |
| Chemical Properties | Back Directory | [Boiling point ]
621.5±55.0 °C(predicted) | [density ]
1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [form ]
Solid | [pka]
12.20±0.10(predicted) | [color ]
Off-white to gray |
| Hazard Information | Back Directory | [Uses]
Pyk2-IN-2 (compound 13j) is an inhibitor of Pyk2 with an IC50 of FAK kinase of 0.608 μM[1]. | [in vivo]
The HLM blood clearance of Pyk2-IN-2 (compound 13j) is 31 mL/min/kg[1].
Pharmacokinetic Analysis in male Wistar-Han rats[1]
| Route | Dose (mg/kg) | t1/2 (h) | Clp (mL/min/kg) | Vdss (L/kg) | Cmax (nM) | Calc Cmax free (nM) | %F | PPB (fu) | | i.v. | 1 | 2.0 | 2.0 | 0.15 | / | / | / | 0.003 | | p.o. | 30 | / | / | / | 61324 | 184 | 47 | / |
| [References]
[1] Bhattacharya SK, et al. Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg Med Chem Lett. 2012 Dec 15;22(24):7523-9. DOI:10.1016/j.bmcl.2012.10.039 |
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