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.

Product information

CAS Number: 220847-86-9

Molecular Weight: 604.95

Formula: C30H32Cl3N3O4

Synonym:

R-411 free base

Chemical Name: 2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylphenyl)formamido]-3-[4-(2,6-dichlorobenzamido)phenyl]propanoate

Smiles: CC1C=CC=C(Cl)C=1C(=O)N[C@@H](CC1C=CC(=CC=1)NC(=O)C1C(Cl)=CC=CC=1Cl)C(=O)OCCN(CC)CC

InChiKey: VZVNFRFMDNFPOM-VWLOTQADSA-N

InChi: InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

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).

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.

Products are for research use only. Not for human use.