U0126-EtOH
- Iupac Name：(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol
- CAS No.: 1173097-76-1
- Molecular Weight：426.56
- Modify Date.: 2023-02-09 23:38
- Introduction: A chemically synthesized and highly selective inhibitor of both MEK1 and MEK2 with IC50s of 70 nM and 60 nM, respectively. U0126-EtOHSupplier
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1. Names and Identifiers
- 1.1 Name
- U0126-EtOH
- 1.2 Synonyms
(2Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile - ethanol (1:1) (2Z,3Z)-2,3-Bis(amino(2-aminophenylthio)methylene)succinonitrile compound with ethanol (1:1) (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile,ethanol (2Z,3Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile - ethanol (1:1) 2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile,ethanol 2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile ethanol salt Butanedinitrile, 2,3-bis[amino[(2-aminophenyl)thio]methylene]-, (2Z)-, compd. with ethanol (1:1) Butanedinitrile, 2,3-bis[amino[(2-aminophenyl)thio]methylene]-, (2Z,3Z)-, compd. with ethanol (1:1) CS-0173 CS-2415 S1102_Selleck U 0126 u 126 U0126 U-0126 U0126 ethanolate U0126-EtOH,U-0126 UO126
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- 1.3 CAS No.
- 1173097-76-1
- 1.4 CID
- 16220066
- 1.5 Molecular Formula
- C20H22N6OS2 (isomer)
- 1.6 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+;
- 1.7 InChIkey
- CFQULUVMLGZVAF-OYJDLGDISA-N
- 1.8 Canonical Smiles
- CCO.C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N
- 1.9 Isomers Smiles
- CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N
2. Properties
- 2.1 Boiling point
- 612.5 °C at 760 mmHg
- 2.1 Flash Point
- 324.2 °C
- 2.1 Precise Quality
- 426.129639
- 2.1 PSA
- 222.49000
- 2.1 logP
- 5.68476
- 2.1 StorageTemp
- Keep in dark place,Inert atmosphere,2-8°C
3. Use and Manufacturing
- 3.1 Usage
- A chemically synthesized and highly selective inhibitor of both MEK1 and MEK2 with IC50s of 70 nM and 60 nM, respectively. U0126-EtOHSupplier
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Other Information
- 5.0 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.)
- 5.1 Mesh Entry Terms
- 1,4-diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
- 5.2 Uses
- A chemically synthesized and highly selective inhibitor of both MEK1 and MEK2 with IC50s of 70 nM and 60 nM, respectively.
- 5.3 Target
- Value
- 5.4 MEK2 (Cell-free assay)
- 0.06 μM
6. Computational chemical data
- Molecular Weight: 426.56g/mol
- Molecular Formula: C20H22N6OS2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 426.12965169
- Monoisotopic Mass: 426.12965169
- Complexity: 612
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Topological Polar Surface Area: 223
- Heavy Atom Count: 29
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADceB7oABgAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQQCAAADAih0AIywYBAAgiQBiRCQACiAABgChAIiBwAZIgIsCKgkZGAIABgkAAIyA8QAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAA==
7. Question & Answer
-
Background and Overview U0126-EtOH, also known as U0126-ETOH, is the ethyl ester of U0126, an effective non-ATP competitive inhibitor of MEK1 and MEK2 with IC50 values of 70 nM and 60 nM, respectively..
8. Recommended Suppliers
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- Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
- Tel:86-21-61124658
U0126
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/06/12
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9. Realated Product Infomation
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