SML2604
BAY-885
≥98% (HPLC)
Synonym(s):
BAY 885, BAY885, [2-Amino-4-(trifluoromethoxy)phenyl]{4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl}methanone
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About This Item
Empirical Formula (Hill Notation):
C25H28F3N7O2
CAS Number:
Molecular Weight:
515.53
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
−20°C
SMILES string
O=C(N1CCC(CC1)C2=C3C(C=C(C=N3)N4CCN(CC4)C)=NC=N2)C5=CC=C(C=C5N)OC(F)(F)F
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
InChI key
QXURFIGBRGWPQD-UHFFFAOYSA-N
Biochem/physiol Actions
ATP site-targeting, potent and selective ERK5 (BMK1, MAPK7) inhibitor.
BAY-885 is an ATP site-targeting, potent and selective ERK5 (BMK1, MAPK7) inhibitor (IC50 = 35 nM with 250 μM ATP; % inhibition at 1 μM = 62/rat Fer, 58/human EphB3, 43/human EphA5, =20/355 kinases) with no BRD4 affinity (20 μM), nor inhibitory potency toward hERG (10 μM) and CYP enzymes (20 μM; CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4). BAY-885 potently inhibits 100 ng/mL EGF-induced, ERK5-dependent MEF2 activity (IC50 = 120 nM; SN12C-MEF2-luc reporter assay).
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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