GSK-J4 (hydrochloride)

The histone H3 lysine 27 (H3K27) demethylase JMJD3 plays important roles in the transcriptional regulation of cell differentiation, development, the inflammatory response, and cancer. GSK-J4 (hydrochloride) is an ethyl ester derivative of the JMJD3 selective histone demethylase inhibitor GSK-J1 (Cay-12054) with an IC50 value greater than 50 µM in vitro. Acting as a prodrug, GSK-J4 is rapidly hydrolyzed in cells to the otherwise cell impermeable GSK-J1, which exhibits an IC50 value of 60 nM for the purified enzyme. When administered to human primary macrophages, GSK-J4 can reduce LPS-induced proinflammatory cytokine production, most notably including that of TNFalpha (IC50 = 9 µM).Formal Name: N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-beta-alanine, ethyl ester, monohydrochloride. CAS Number: 1797983-09-5. Molecular Formula: C24H27N5O2 . HCl. Formula Weight: 454.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, DMSO:PBS (pH 7.2) (1:7): 0.1 mg/ml, Ethanol: 20 mg/ml. lambdamax: 260 nm. SMILES: O=C(OCC)CCNC1=CC(N2CCC(C=CC=C3)=C3CC2)=NC(C4=CC=CC=N4)=N1.Cl. InChi Code: InChI=1S/C24H27N5O2.ClH/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29,/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28),1H. InChi Key: TYXWLTBYINKVNT-UHFFFAOYSA-N.