(2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

1186222-89-8

Molecular Formula

C30H29N5O6S2

Molecular Weight

619.73 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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O=C(Nc1ccccc1N)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)c1cnn(c1)C.Cc1ccc(cc1)S(=O)(=O)O

InChI

InChI=1S/C23H21N5O3S.C7H8O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24;1-6-2-4-7(5-3-6)11(8,9)10/h2-16H,24H2,1H3,(H,26,29);2-5H,1H3,(H,8,9,10)/b11-6+;

InChIKey

IAVXAZDVNICKFJ-ICSBZGNSSA-N

LogP

4.601420000000004

Topological Polar Surface Area

166.37999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

775

Synonyms & References

English

4SC-202
4SC 202
Domatinostat tosylate
Domatinostat
(E)-N-(2-aminophenyl)-3-(1-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)sulfonyl)-1H-pyrrol-3-yl)acrylamide
264ARM7UXX
4SC202
(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
BCP18522
BDBM50470579
s7555
DB13101
SB16852
4SC 202 free base;4SC202 free base

MDL Number

MFCD25976779

FAQ

What is (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8)?

This compound is a complex organic molecule with a specific structure. It is used in research and development, particularly in the pharmaceutical industry. It contains multiple functional groups including amine, sulfonyl, and pyrazolyl, which contribute to its unique chemical properties.

What are the main uses of (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8)?

The compound is primarily used in research and development for drug discovery and synthesis. It may also have applications in the development of new chemical entities for potential pharmaceutical use.

Is (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8) safe?

The compound is generally safe when handled with proper precautions. It is important to follow safety guidelines, including wearing appropriate personal protective equipment and ensuring proper ventilation. Consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8) be stored?

Store the compound in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 60%.

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Compound Q&A

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(2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) | CAS No. 1186222-89-8

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What is (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8)?

What are the main uses of (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8)?

Is (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8) safe?

How should (2E)-N-(2-Aminophenyl)-3-(1-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]sulfonyl}-1H-pyrrol-3-yl)acrylamide 4-methylbenzenesulfonate (1:1) (CAS: 1186222-89-8) be stored?

Related Compounds

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