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XMD17-109

SIGMA/SML1753 - ≥98% (HPLC)

Synonym: 11-Cyclopentyl-2-((2-ethoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)-phenyl)amino)-5-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one; ERK5-IN-1

CAS Number: 1435488-37-1
Empirical Formula (Hill Notation): C36H46N8O3
Molecular Weight: 638.80
Linear Formula: C36H46N8O3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1753-5MG 5 mg
 $136.00
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assay ≥98% (HPLC)
color white to beige
form powder
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
Quality Level 100 
SMILES string N7(CCN(CC7)C)C1CCN(CC1)C(=O)c2cc(c(cc2)Nc3nc4[n](c6c([c]([n](c4cn3)C)=O)cccc6)C5CCCC5)OCC
solubility DMSO: 20 mg/mL, clear
storage temp. −20°C
Biochem/physiol Actions: XMD17-109 is a cell-permeable, non-cytotoxic ATP site-targeting pyrimido-diazepinone derivative that acts as a potent inhibitor against ERK5 (MAPK7, BMK1) kinase activity in cell-free assay, and EGF-induced ERK5 autophosphorylation in HeLa cells.
Biochem/physiol Actions: XMD17-109 is a cell-permeable, non-cytotoxic ATP site-targeting pyrimido-diazepinone derivative that acts as potent inhibitor against ERK5 (MAPK7, BMK1) kinase activity in cell-free assay (IC50 = 162 nM; [ATP] = 50 μM) and EGF-induced ERK5 autophosphorylation in HeLa cells (IC50  = 90 nM). XMD17-109 displayed excellent target selectivity on a 442-kinase panel. XMD17-109 effectively inhibits inflammatory stimuli-induced IL-6 and IL-8 production from human endothelial cells in vitro and protects mice from LPS-induced mortality and systemic inflammation & coagulopathy in vivo with good pharmacokinetics.
Packaging: 5, 25 mg in glass bottle
Symbol GHS07  GHS07
Signal word Warning
Hazard statements H315 - H319
Precautionary statements P305 + P351 + P338
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. −20°C
UNSPSC 12352200

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