ChemicalBook > CAS DataBase List > Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)-

Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)-

Product 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 No.
2244987-03-7
Chemical 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)-
Synonyms
CDK12-IN-2;CDK12-IN-2, 10 mM in DMSO;3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-(1-methyl-6-oxopyridin-3-yl)phenyl]urea;3-benzyl-1-[trans-4-[(5-cyano-2-pyridyl)amino]cyclohexyl]-1-[4-(1-methyl-6-oxo-3-pyridyl)phenyl]urea;3-Benzyl-1-(trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-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)-
CBNumber
CB68219293
Molecular Formula
C32H32N6O2
Formula Weight
532.64
MOL File
2244987-03-7.mol
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Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)- Property

Boiling point:
836.8±65.0 °C(Predicted)
Density 
1.29±0.1 g/cm3(Predicted)
storage temp. 
Store at -20°C
pka
13.83±0.46(Predicted)
form 
Solid
color 
White to off-white
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P501Dispose of contents/container to..…

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Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)- Chemical Properties,Usage,Production

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

Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)- Preparation Products And Raw materials

Raw materials

Preparation Products

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Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)- Suppliers

China 28 United States 2 Global 30
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2244987-03-7, Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)-Related Search:


  • Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N'-(phenylmethyl)-
  • 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-(1-methyl-6-oxopyridin-3-yl)phenyl]urea
  • CDK12-IN-2
  • 3-benzyl-1-[trans-4-[(5-cyano-2-pyridyl)amino]cyclohexyl]-1-[4-(1-methyl-6-oxo-3-pyridyl)phenyl]urea
  • CDK12-IN-2, 10 mM in DMSO
  • 3-Benzyl-1-(trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)urea
  • 2244987-03-7