GSK-J5 (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 (Cay-12073) is a cell-permeable prodrug which is modified by intracellular esterases to give GSK-J1 (Cay-12054), an inhibitor of JMJD3. GSK-J5 is a pyridine regio-isomer of GSK-J4. Like GSK-J4, this isomer is cell-permeable and hydrolyzed to a free base. However, the free base is a weak inhibitor of JMJD3 (IC50 > 100 µM), making it an ideal inactive control molecule for elucidating the functional role of JMJD3 inhibition.Formal Name: N-[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-beta-alanine, ethyl ester, monohydrochoride. CAS Number: 1797983-32-4. Molecular Formula: C24H27N5O2 . HCl. Formula Weight: 454.0. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMF:PBS (pH 7.2) (1:7): 0.1 mg/ml, DMSO: 30 mg/ml, Ethanol: 20 mg/ml. lambdamax: 202, 254 nm. SMILES: O=C(OCC)CCNC1=CC(N2CCC(C=CC=C3)=C3CC2)=NC(C4=CC=CN=C4)=N1.Cl. InChi Code: InChI=1S/C24H27N5O2.ClH/c1-2-31-23(30)9-13-26-21-16-22(28-24(27-21)20-8-5-12-25-17-20)29-14-10-18-6-3-4-7-19(18)11-15-29,/h3-8,12,16-17H,2,9-11,13-15H2,1H3,(H,26,27,28),1H. InChi Key: QQHQMHJAOKADED-UHFFFAOYSA-N.