| Identification | Back Directory | [Name]
BAY-885 | [CAS]
2307249-33-6 | [Synonyms]
BAY-885
BAY-885 USP/EP/BP
[2-amino-4-(trifluoromethoxy)phenyl]-{4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl}methanone
Methanone, [2-amino-4-(trifluoromethoxy)phenyl][4-[7-(4-methyl-1-piperazinyl)pyrido[3,2-d]pyrimidin-4-yl]-1-piperidinyl]- | [Molecular Formula]
C25H28F3N7O2 | [MDL Number]
MFCD32067879 | [MOL File]
2307249-33-6.mol | [Molecular Weight]
515.53 |
| Questions And Answer | Back Directory | [Use]
BAY-885 is a highly potent and selective ERK5 inhibitor. | [In vitro]
BAY-885 shows potent ERK5 kinase and transcriptional inhibition in the SN12C-MEF2 reporter cell line (IC50 = 115 nM/IC90 = 691 nM) and has no effects on a reporter control cell line with constitutive luciferase expression (SN12C-CMV-luc, IC50 > 30 μM), thereby ruling out potential effects as a general inhibitor of transcription or translation. |
| Chemical Properties | Back Directory | [Boiling point ]
685.0±55.0 °C(Predicted) | [density ]
1.362±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMSO:23.33(Max Conc. mg/mL);45.25(Max Conc. mM)
Ethanol:8.0(Max Conc. mg/mL);15.52(Max Conc. mM) | [form ]
A solid | [pka]
7.06±0.42(Predicted) | [color ]
White to light yellow | [InChI]
1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3 | [InChIKey]
QXURFIGBRGWPQD-UHFFFAOYSA-N | [SMILES]
O=C(N1CCC(CC1)C2=C3C(C=C(C=N3)N4CCN(CC4)C)=NC=N2)C5=CC=C(C=C5N)OC(F)(F)F |
| Hazard Information | Back Directory | [Uses]
BAY885 is a highly potent and selective ERK5 inhibitor with an IC50 of 35 nM. BAY885 shows weak inhibition on others kinases[1]. | [Biological Activity]
BAY-885 is an ATP site-targetingpotent and selective ERK5 (BMK1MAPK7) inhibitor (IC50 = 35 nM with 250 μM ATP; % inhibition at 1 μM = 62/r at Fer58/human EphB343/human EphA5=20/355 kinases) with no BRD4 affinity (20 μM)nor inhibitory potency toward hERG (10 μM) and CYP enzymes (20 μM; CYP1A2CYP2C8CYP2C9CYP2D6CYP3A4). BAY-885 potently inhibits 100 ng/mL EGF-inducedERK5-dependent MEF2 activity (IC50 = 120 nM; SN12C-MEF2-luc reporter assay). | [IC 50]
ERK5: 35 nM (IC50) | [References]
[1] Nguyen D, et al. Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5. J Med Chem. 2019 Jan 24;62(2):928-940. DOI:10.1021/acs.jmedchem.8b01606 |
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| Company Name: |
BOC Sciences
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1-631-485-4226; 16314854226 |
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https://www.bocsci.com |
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