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U0126-EtOH

U0126-EtOH structure

CAS No:
1173097-76-1
Formula:
C18H16N6S2.C2H6O
Chemical Name:
U0126-EtOH
Synonyms:
2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile,ethanol;(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile,ethanol;(2Z,3Z)-2,3-Bis(amino(2-aminophenylthio)methylene)succinonitrile compound with ethanol (1:1);U0126-EtOH;2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile ethanol salt
Categories:
Biochemical Engineering > Inhibitors

Description

U0126 is a potent and non-ATP competitive MEK1 and MEK2 inhibitor, with IC50s of 70 nM and 60 nM, respectively.

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 EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor, an apoptosis inducer, an antineoplastic agent, an antioxidant, an osteogenesis regulator and a vasoconstrictor agent. It contains an U0126.

U0126-EtOH Basic Attributes

Molecular Weight：

426.6

Exact Mass：

426.129639

DSSTox ID：

DTXSID20585283

HScode：

29309090

Characteristics

Flash Point：

324.2ºC

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

1,4-diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene

U0126-EtOH Use and Manufacturing

A chemically synthesized and highly selective inhibitor of both MEK1 and MEK2 with IC50s of 70 nM and 60 nM, respectively.

Computed Properties

Molecular Weight:426.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:426.12965169
Monoisotopic Mass:426.12965169
Topological Polar Surface Area:223
Heavy Atom Count:29
Complexity:612
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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U0126-EtOH

CAS No.: 1173097-76-1

Content: 99%

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