XMD17-109

XMD17-109 is a selective ERK5 inhibitor (IC50 = 0.162 µM in an enzyme assay). It is selective for ERK5 over a panel of more than 200 kinases, inhibiting only ERK5 with greater than 90% target occupancy at a concentration of 10 µM. XMD17-109 inhibits ERK5 phosphorylation (IC50 = 0.09 µM in HeLa cells) and decreases AP-1 transcriptional activity (EC50 = 4.2 µM). It also inhibits human recombinant LRRK2[G2019S], which contains a mutation that has been linked to Parkinson's disease, with an IC50 value of 0.339 µM in an enzyme assay.Formal Name: 11-cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one. CAS Number: 1435488-37-1. Synonyms: ERK5-IN-1. Molecular Formula: C36H46N8O3. Formula Weight: 638.8. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMSO: 1 mg/ml, Ethanol: 1 mg/ml. lambdamax: 285, 312 nm. SMILES: CN1CCN(C2CCN(C(C3=CC(OCC)=C(NC4=NC=C(N(C)C(C(C=CC=C5)=C5N6C7CCCC7)=O)C6=N4)C=C3)=O)CC2)CC1. InChi Code: InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39). InChi Key: XVBGRTMNFNMINE-UHFFFAOYSA-N.