A selective ERK5 inhibitor
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XMD17-109

Item No. 25448

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
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(Learn about Variance in Solubility)
DMF: 1 mg/mlDMSO: 1 mg/mlEthanol: 1 mg/ml
λmax
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
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

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    Product Description

    XMD17-109 is a selective ERK5 inhibitor (IC50 = 0.162 µM in an enzyme assay).1 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).2 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.1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Deng, X., Elkins, J.M., Zhang, J., et al. Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones. Eur. J. Med. Chem. 70, 758-767 (2013).

    2. Elkins, J.M., Wang, J., Deng, X., et al. X-ray crystal structure of ERK5 (MAPK7) in complex with a specific inhibitor. J. Med. Chem. 56(11), 4413-4421 (2013).