U0126-EtOH

Category	Influenza Virus
CAS	1173097-76-1
Description	U0126-EtOH is a highly selective inhibitor of MEK1/2 with IC50 of 0.07 μM/0.06 μM, 100-fold higher affinity for ΔN3-S218E/S222D MEK than PD98059.

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Product Information

Synonyms	U0126-EtOH; U0126EtOH; U0126 EtOH, U0126, U-0126, U 0126
IUPAC Name	(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol
Molecular Weight	426.56
Molecular Formula	C18H16N6S2.C2H6O
Canonical SMILES	CCO.C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N
InChI	InChI=1S/C18H16N6S2.C2H6O/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;
InChIKey	CFQULUVMLGZVAF-OYJDLGDISA-N
Boiling Point	612.5°C at 760 mmHg
Flash Point	324.2°C
Purity	>98%
Solubility	In Vitro: DMSO : ≥ 49 mg/mL (114.87 mM) H2O : < 0.1 mg/mL (insoluble)
Appearance	White to brown (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Animal Admin	Athymic female nude mice (SWISS, nu/nu) are used. Prior to injection, FI cells are labeled with a stable fluorescent dye molecule, DiA at 10 μg/mL for 5 h at 37°C. After washing to remove free DiA, cells are trypsinized for inoculation (U0126 experiments) or transfection (RNAi experiments). Biliary epithelial cells are injected subcutaneously, at the indicated times, into the tibia of nude mice. In the chemical experiments, 3 h after inoculation, mice are treated with U0126 (10.5 mg/kg) daily by intraperitoneal injection. The length and width of each tumor are measured every day by using a caliper. The following formula is used to calculate tumor volumes=width2×length/2. Mice are killed at the end of experiment. Tumors are immediately frozen in liquid nitrogen. Rats Twelve-week-old female Wistar rats (250 to 265 g) are used U0126 (30 mg/kg intraperitoneally) is injected at 0 and 24 hours of reperfusion after tMCAO based on the previous evaluation of the drug in male rats. Animals in study II are administered U0126 or vehicle and are killed 14 days after tMCAO. Experimental group assignments are randomized and blinded to the surgical experimenter.
Complexity	612
Exact Mass	426.12965169
In Vitro	Treatment with U0126-EtOH (U0126) efficiently reduces progeny virus titers of all tested strains in A549 cells. While nM concentrations of U0126-EtOH are efficient to reduce H1N1v and H5N1 (MB1), μM concentrations of U0126-EtOH are required to reduce the virus titer of H5N1 (GSB) and H7N7. The EC50 values for U0126-EtOH against H1N1v are 1.2±0.4 μM in A549 cells and 74.7±1.0 μM in MDCKII cells. Rat hepatocarcinoma cells (FAO) stimulated by fetal calf serum (FCS) exhibits a significant proportion in S phase (32.62%) whereas U0126-EtOH (U0126) strongly decreases the proportion of cells in S phase (9.92%) and increases the proportion of cells in G0-G1 phase and to a lesser extent in G2/M.
In Vivo	Mice are treated daily with U0126-EtOH (U0126; i.p., 10.5 mg/kg). In control experiment, tumor sizes are constant or slightly increase all over the kinetic. At the opposite, in all U0126-EtOH experiments, engraftment and early tumor growth are significantly decreased. Furthermore, a 60-70% reduction in the volume of tumors treated with U0126-EtOH is obtained 9 days after injection and thereafter. Rats are subjected to 120 minutes transient middle cerebral artery occlusion (tMCAO) and thereafter treated with the U0126-EtOH (U0126; i.p., 30 mg/kg) at 0 and 24 hours of reperfusion. After treatment with U0126-EtOH, the vasoconstriction to S6c is markedly reduced.
PSA	222.49000
Target	MEK; Autophagy; Mitophagy; Influenza Virus