ChemicalBook--->CAS DataBase List--->161468-32-2

161468-32-2

161468-32-2 Structure

161468-32-2 Structure
IdentificationBack Directory
[Name]

4-CYANO-3-METHYLISOQUINOLINE
[CAS]

161468-32-2
[Synonyms]

4-CYANO-3-METHYLISOQUINOLINE
4-Isoquinolinecarbonitrile, 3-methyl-
[Molecular Formula]

C11H8N2
[MDL Number]

MFCD02179199
[MOL File]

161468-32-2.mol
[Molecular Weight]

168.19
Chemical PropertiesBack Directory
[Boiling point ]

330.9±22.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO (50mg/ml)
[form ]

solid
[pka]

2.26±0.31(Predicted)
[color ]

white
[InChI]

1S/C11H8N2/c1-8-11(6-12)10-5-3-2-4-9(10)7-13-8/h2-5,7H,1H3
[InChIKey]

SZWLGBJCLZDZBY-UHFFFAOYSA-N
[SMILES]

n1cc2c(c(c1C)C#N)cccc2
Safety DataBack Directory
[WGK Germany ]

WGK 1
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Cyano-3-methylisoquinoline is an inhibitor for protein kinase A (PKA) with an IC50 of micromolar level. 4-Cyano-3-methylisoquinoline reverses morphine tolerance in mouse model[1].
[Definition]

ChEBI: 3-methyl-4-isoquinolinecarbonitrile is a member of isoquinolines.
[Biological Activity]

Cell permeable: yes''Primary Target
PKA''Product competes with ATP.''Reversible: yes''Target IC50: 30 nM against protein kinase A
[storage]

+4°C
[References]

[1] Smith FL, et al., The expression of a high level of morphine antinociceptive tolerance in mice involves both PKC and PKA. Brain Res. 2003 Sep 19;985(1):78-88. DOI:10.1016/s0006-8993(03)03170-6
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