N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide | CAS No. 415903-37-6

N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide

Basic Information

CAS Number

415903-37-6

Molecular Formula

C26H29N5O3S

Molecular Weight

491.62 g/mol

AD

Basic Physical Properties

Melting Point

>136 ºC (Grapiprant hydrochloride)

Solubility

Insuluble (3.4E-3 g/L) (25 ºC),

CCc1nc2c(nc(cc2n1c3ccc(cc3)CCNC(=O)NS(=O)(=O)c4ccc(cc4)C)C)C

InChI

InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)

InChIKey

HZVLFTCYCLXTGV-UHFFFAOYSA-N

LogP

4.138760000000002

Topological Polar Surface Area

105.97999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

802

Synonyms & References

English

  • GRAPIPRANT
  • 2-Ethyl-4,6-dimethyl-1-[4-[2-[[[[(4-methylphenyl)sulfonyl]amino]carbonyl]amino]ethyl]phenyl]-1H-imidazo[4,5-c]pyridine
  • AAT 007
  • CJ 023423
  • MR 10A7
  • RQ 00000007
  • RQ 7
  • N-((4-(2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenethyl)carbamoyl)-4-methylbenzenesulfonamide
  • J9F5ZPH7NB
  • RQ-7
  • 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
  • Grapiprant [USAN:INN]
  • 1-(2-(4-(2-ethyl-4,6-dimethylimidazo(4,5-c)pyridin-1-yl)phenyl)ethyl)-3-(4-methylphen
  • Grapiprant

MDL Number

MFCD16628076

FAQ

What are the physical and chemical properties of N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6)?

N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6) is a crystalline solid with a molecular weight of approximately 535.43 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO and methanol. The compound shows good reactivity towards nucleophiles and can undergo substitution reactions. It has a pKa of around 8.5, indicating basicity.

How is N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6) typically synthesized?

N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6) is synthesized through multi-step reactions involving condensation, substitution, and sulfonamide formation. The key steps include the preparation of the imidazo[4,5-c]pyridin-1-yl moiety, coupling with the phenethyl carbamoyl group, and final sulfonamide formation. The reaction requires careful control of conditions to achieve high yield and selectivity.

What industries use N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6)?

N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6) is primarily used in the pharmaceutical industry for its potential as an antifungal agent. It may also have applications in sensor technology and as a component in certain drug delivery systems. Research is ongoing to explore its use in other areas.

What precautions should be taken when handling N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6)?

When handling N-({2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl}carbamoyl)-4-methylbenzenesulfonamide (CAS: 415903-37-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety glasses. Storage should be in a dry, cool place, away from direct sunlight and heat sources. In case of spills, handle with caution and follow proper laboratory safety guidelines. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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