U0126-EtOH - ≥97% , CAS No.1173097-76-1

CAS: 1173097-76-1 Cat. No.: U127670 Molecular Weight: 426.56 PubChem CID: 16220066

GRADE & PURITY ≥97%

Synonyms

U0126 monoethanolate, >=98% (HPLC), powder | (2Z,3Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--ethanol (1/1) | 1173097-76-1 | U0126-EtOH | (2Z,3Z)-2,3-bis(amino((2-aminophenyl)thio)methylene)succinonitrile ethanol | U0126.EtOH | SCHEM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

U0126-EtOH is a highly selective inhibitor of MEK1/2 with IC50 of 0.07 μM/0.06 μM in cell-free assays, 100-fold higher affinity for ΔN3-S218E/S222D MEK than PD98059.

Specifications

Synonyms

U0126 monoethanolate, >=98% (HPLC), powder | (2Z, 3Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--ethanol (1/1) | 1173097-76-1 | U0126-EtOH | (2Z, 3Z)-2, 3-bis(amino((2-aminophenyl)thio)methylene)succinonitrile ethanol | U0126.EtOH | SCHEM

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

U0126-EtOH functionally antagonizes AP- 1 transcriptional activity and blocks the production of a variety of cytokines and metalloproteinases involved in the inflammatory response. U0126-EtOH inhibits T cell proliferation in response to antigenic stimulat

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCO.C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N
• IUPAC Name: (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol
• InChIKey: CFQULUVMLGZVAF-OYJDLGDISA-N
• 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+
• Isomeric SMILES: CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N
• PubChem CID: 16220066
• Molecular Weight: 426.56

Chemical and Physical Properties

• Solubility: DMSO ≥83mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL
• Molecular Weight: 426.600 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 426.13 Da
• Monoisotopic Mass: 426.13 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 612.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

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