| Identification | Back Directory | [Name]
ethyl 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinate | [CAS]
1596348-32-1 | [Synonyms]
159142
KDOAM 21
KDM5 inhibitor C70
ethyl 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinate | [Molecular Formula]
C17H28N4O3 | [MDL Number]
MFCD30721931 | [MOL File]
1596348-32-1.mol | [Molecular Weight]
336.429 |
| Chemical Properties | Back Directory | [Boiling point ]
466.6±45.0 °C(Predicted) | [density ]
1.099±0.06 g/cm3(Predicted) | [storage temp. ]
-10 to -25°C | [solubility ]
Chloroform: soluble; DMSO: soluble; Ethanol: soluble | [form ]
Liquid | [pka]
8.39±0.28(Predicted) | [color ]
Light yellow to yellow | [InChI]
1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3 | [InChIKey]
WCILOMUUNVPIKQ-UHFFFAOYSA-N | [SMILES]
CN(CCN(C(CNCC1=CC(C(OCC)=O)=CC=N1)=O)CC)C |
| Hazard Information | Back Directory | [Uses]
KDOAM 21 is an inhibitor to KDM5A (Lysine Demethylase 5A) which is a protein coding gene. | [Biological Activity]
KDM5-C70 (KDOAM-21) corresponds to the ethyl ester precursor of a selective αKG-competitive KDM5 histone demethylase inhibitor KDM5-C49 (KDOAM-21; KDM5A/B/C/D Ki = 2/1/6.1/3.4 nM vs. KDM4C/6B/3A/2A Ki = 0.51/4.55/2.59/4.4 μM; KDM5A/B/C/D IC50 = 1.1/0.8/3.2/2.7 μM by FDH assay with [αKG] = 1 mM & [E]/[S] = 0.5/15 μM; KDM5A/B/C IC50 = 25/30/59 nM by alphaLISA with [αKG] = 25 μM & [E]/[S] = 10/100 nM). KDM5-C70 treatment selectively upregulates cellular histone H3 trimethylation on Lys4 (H3K4me3)but not on Lys9/7/36 (5 μM3d)and inhibits KDM5-dependent cancer growth (by 85%/MCF7/11d97%/BT474/24dand 70%/ZR-75-1/24d; 5 μM). | [IC 50]
KDM5 |
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ChemShuttle, Inc.
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