| Identification | Back Directory | [Name]
Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)- | [CAS]
2244987-03-7 | [Synonyms]
CDK12-IN-2
3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-(1-methyl-6-oxopyridin-3-yl)phenyl]urea
Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)- | [Molecular Formula]
C32H32N6O2 | [MDL Number]
MFCD32063511 | [MOL File]
2244987-03-7.mol | [Molecular Weight]
532.64 |
| Chemical Properties | Back Directory | [Boiling point ]
836.8±65.0 °C(Predicted) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
13.83±0.46(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
CDK12-IN-2 is a potent, selective and nanomolar CDK12 inhibitor (IC50=52 nM) with good physicochemical properties. CDK12-IN-2 is also a strong CDK13 inhibitor due to CDK13 is the closest homologue of CDK12. CDK12-IN-2 shows excellent kinase selectivity for CDK12 over CDK2, 9, 8, and 7. CDK12-IN-2 inhibits the phosphorylation of Ser2 in the C-terminal domain of RNA polymerase II. CDK12-IN-2 can be used an excellent chemical probe for functional studies of CDK12[1]. | [IC 50]
CDK12: 52 nM (IC50); CDK2: >100 μM (IC50); CDK7: >10 μM (IC50); CDK9: 16 μM (IC50) | [References]
[1] Masahiro Ito, et al. Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem. 2018 Sep 13;61(17):7710-7728. DOI:10.1021/acs.jmedchem.8b00683 |
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