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828271-96-1

828271-96-1 structure
828271-96-1 structure
  • Name: Valategrast hydrochloride
  • Chemical Name: 2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-[(2,6-dichlo robenzoyl)amino]-L-phenylalaninate hydrochloride (1:1)
  • CAS Number: 828271-96-1
  • Molecular Formula: C30H33Cl4N3O4
  • Molecular Weight: 641.41300
  • Catalog: Signaling Pathways Cytoskeleton Integrin
  • Create Date: 2017-09-05 09:20:32
  • Modify Date: 2024-01-12 16:15:49
  • Valategrast hydrochloride (R-411) is a potent integrin α4β1 (VLA-4) and α4β7 dual antagonist. Valategrast hydrochloride 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 hydrochloride (1:1)
Description Valategrast hydrochloride (R-411) is a potent integrin α4β1 (VLA-4) and α4β7 dual antagonist. Valategrast hydrochloride has the potential for Chronic obstructive pulmonary disease (COPD) and asthma treatment[1][2].
Related Catalog
Target

α4β1

α4β7

In Vitro Valategrast (hydrochloride) 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 C30H33Cl4N3O4
Molecular Weight 641.41300
Exact Mass 639.12300
PSA 91.23000
LogP 7.88340