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U0126-EtOH

CAT: 0931-T6223-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T6223-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173097-76-1
Target
Autophagy, Mitophagy, MEK, Influenza Virus
Related Pathways
MAPK, Autophagy, Microbiology/Virology
Purity
0.9988
Bioactivity
U0126-etoh (U0126 Ethanol) is a non-ATP competitive inhibitor of MEK1 (IC50=72 nM) and MEK2 (IC50=58 nM) with selectivity. U0126-EtOH inhibited autophagy and mitophagy.
Smiles
CCO.N\C(Sc1ccccc1N)=C(\C#N)/C(/C#N)=C(\N)Sc1ccccc1N
Molecular Formula
C18H16N6S2·C2H6O
Molecular Weight
426.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

U0126-EtOH

U0126.EtOH is an addition compound obtained by combining equimolar amounts of (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (U0126) and ethanol. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties. It has a role as an antioxidant, an antineoplastic agent, a vasoconstrictor agent, an osteogenesis regulator, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It contains an U0126.

CAS Number1173097-76-1
PubChem CID16220066
IUPAC Name(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol
Molecular FormulaC20H22N6OS2
Molecular Weight426.6
Topological Polar Surface Area222
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity612
SMILES
CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\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
Chemical Structure
2D Structure
2D structure of U0126-EtOH
CAS: 1173097-76-1
CID: 16220066
Formula: C20H22N6OS2
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass426.12965169
Monoisotopic Mass426.12965169
Topological Polar Surface Area222 Ų
Heavy Atom Count29
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
533010U0126-EtOH
A10957-250U0126-EtOH 250mg
A10957-50U0126-EtOH 50mg
A10957-25U0126-EtOH 25mg
A10957-100U0126-EtOH 100mg

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