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220847-86-9

220847-86-9 structure
220847-86-9 structure
  • Name: Valategrast
  • Chemical Name: 2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-[(2,6-dichlo robenzoyl)amino]-L-phenylalaninate
  • CAS Number: 220847-86-9
  • Molecular Formula: C30H32Cl3N3O4
  • Molecular Weight: 604.95200
  • Catalog: Signaling Pathways Cytoskeleton Integrin
  • Create Date: 2016-09-27 03:39:18
  • Modify Date: 2024-01-10 11:11:24
  • Valategrast (R-411 free base) is a potent and orally active integrin α4β1 (VLA-4) and α4β7 dual antagonist. Valategrast has the potential for Chronic obstructive pulmonary disease (COPD) and asthma treatment[1][2].

Name 2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-[(2,6-dichlo robenzoyl)amino]-L-phenylalaninate
Synonyms Valategrast (R411)
Description Valategrast (R-411 free base) is a potent and orally active integrin α4β1 (VLA-4) and α4β7 dual antagonist. Valategrast has the potential for Chronic obstructive pulmonary disease (COPD) and asthma treatment[1][2].
Related Catalog
Target

Integrin α4β1; Integrin α4β7[2]

In Vitro Valategrast contains a common l-phenylalanine-N-aroyl motif where the carboxylic acid is responsible for binding to the metal ion in the metal-ion-dependent adhesion site (MIDAS)[2].
References

[1]. Woodside DG, et al. Cell adhesion antagonists: therapeutic potential in asthma and chronic obstructive pulmonary disease. BioDrugs. 2008;22(2):85-100.

[2]. Halland N, et al. Small Macrocycles As Highly Active Integrin α2β1 Antagonists. ACS Med Chem Lett. 2014 Jan 10;5(2):193-8.

Molecular Formula C30H32Cl3N3O4
Molecular Weight 604.95200
Exact Mass 603.14600
PSA 91.23000
LogP 7.08140