2-{4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide

Basic Information

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CAS Number

475086-01-2

Molecular Formula

C26H32N4O4S

Molecular Weight

496.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Solubility

Insuluble (1.4E-3 g/L) (25 ºC),

SMILES

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CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)c1cnc(c2ccccc2)c(n1)c3ccccc3

InChI

InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)

InChIKey

QXWZQTURMXZVHJ-UHFFFAOYSA-N

LogP

3.8980000000000032

Topological Polar Surface Area

101.49000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

730

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

NS-304
ACT-293987
NS 304
Selexipag
2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}-N-(methylsulfonyl)acetamide
Selexipag [USAN:INN]
USAN
2-[4-[(5,6-Diphenylpyrazin-2-yl)(isopropyl)amino]butoxy]-N-(methylsulfonyl)acetamide
ACT 293987
Uptravi
5EXC0E384L
2-(4-((5,6-diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)-N-(methylsulfonyl)acetamide
2-(4-((5,6-Diphenylpyrazin-2-yl)(propan-2-yl)amino)butoxy}-n-(methanesulfonyl)acetamide
2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide
Uptravi (TN)
NS-3

MDL Number

MFCD10567093

FAQ

What are the physical and chemical properties of 2-{4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide (CAS: 475086-01-2)?

This compound is a white or off-white crystalline solid with a molecular weight of approximately 569.4 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and acetonitrile. The compound shows moderate reactivity towards nucleophiles and can undergo condensation reactions. It is stable in air and light but should be stored in a cool, dark place.

How is 2-{4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide (CAS: 475086-01-2) typically synthesized?

This compound can be synthesized via a multi-step process involving amidation of an intermediate pyrazine derivative with an amino acid derivative. The reaction typically requires a coupling agent and a base. High yield can be achieved with optimized conditions. The process involves careful control of temperature and pH to ensure selectivity and purity.

What industries use 2-{4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide (CAS: 475086-01-2)?

This compound is primarily used in pharmaceuticals and research due to its structural complexity and potential biological activity. It may also have applications in the development of sensors and other advanced materials, although its specific uses in these fields are limited.

What precautions should be taken when handling 2-{4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide (CAS: 475086-01-2)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat is required when handling this compound. It should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.