UNC1999

Protein target name: 
EZH1, EZH2
Mechanism of action: 
Protein substrate noncompetitive inhibitorSAM competitive inhibitor

Target Details

Target class: 
Epigenetics
Subclass: 
Protein methyltransferase
Target alias: 
KMT6B, WVS, ENX1, EZH1, KMT6, WVS2, ENX-1, EZH2b, KMT6A

Probe Details

Chemical Probes Portal ID: 
CPP48
SMILES string: 
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C
InChi Key: 
DPJNKUOXBZSZAI-UHFFFAOYSA-N
Control compound: 
UNC2400
Orthogonal probe: 
GSK343
PAINs evaluation: 
PAINs free

Physico-chemical properties

NMR: 

1H NMR (400 MHz, d4-MeOH) δ 8.48 (d, J = 2.4 Hz, 1H), 8.36 (s, 1H), 7.91 (dd, J = 8.9, 2.6 Hz, 1H), 7.87 (s, 1H), 7.75 (d, J = 1.2 Hz, 1H), 6.81 (d, J = 8.9 Hz, 1H), 6.09 (s, 1H), 5.06 (dt, J = 13.3, 6.6 Hz, 1H), 4.58 (s, 2H), 3.61 – 3.46 (m, 4H), 2.70 (ddd, J = 13.1, 8.6, 6.3 Hz, 3H), 2.63 (dd, J = 11.2, 6.0 Hz, 4H), 2.23 (s, 3H), 1.63 (dt, J = 15.3, 7.5 Hz, 2H), 1.55 (d, J = 6.6 Hz, 6H), 1.09 (d, J = 6.5 Hz, 6H), 1.00 (t, J = 7.3 Hz, 3H);

13C NMR (100 MHz, CDCl3) δ 166.44, 165.96, 158.96, 154.78, 146.57, 143.29, 139.87, 136.47, 136.36, 132.35, 128.89, 125.52, 121.47, 120.52, 119.94, 109.10, 108.49, 106.74, 54.65, 50.45, 48.57 (two carbons), 45.59 (two carbons), 36.12, 35.28, 23.70, 22.20 (two carbons), 18.74, 18.62 (two carbons), 14.04.

Primary Reference