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U0126

CAT: 0607-BA2003-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2003-50Size:50 mg
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CAS Number
109511-58-2
Form
A solid
Molecular Formula
C18H16N6S2
Molecular Weight
380.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

U0126

U0126 is an aryl sulfide that is (2Z,3Z)-bis[amino(sulfanyl)methylidene]butanedinitrile in which the sulfanyl hydrogens are replaced by 2-aminophenyl groups. 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 is an aryl sulfide, an enamine, a substituted aniline and a dinitrile.

CAS Number109511-58-2
PubChem CID3006531
IUPAC Name(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile
Molecular FormulaC18H16N6S2
Molecular Weight380.5
XLogP2
Topological Polar Surface Area202
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity610
SMILES
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/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/h1-8H,21-24H2/b17-11+,18-12+
InChIKey
DVEXZJFMOKTQEZ-JYFOCSDGSA-N
Chemical Structure
2D Structure
2D structure of U0126
CAS: 109511-58-2
CID: 3006531
Formula: C18H16N6S2
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass380.08778688
Monoisotopic Mass380.08778688
Topological Polar Surface Area202 Ų
Heavy Atom Count26
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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