220847-86-9
220847-86-9
Chemical Structure
Valategrast
Synonym(s): R-411 free base
- CAS No.: 220847-86-9
- Formula:C30H32Cl3N3O4
- Molecular Weight:604.95
IUPAC Name: 2-(diethylamino)ethyl (S)-2-(2-chloro-6-methylbenzamido)-3-(4-(2,6-dichlorobenzamido)phenyl)propanoate
InChIKey: VZVNFRFMDNFPOM-VWLOTQADSA-N
SMILES: O=C(OCCN(CC)CC)[C@H](CC1=CC=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=C1)NC(C3=C(C)C=CC=C3Cl)=O
Biological Activity: 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].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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Valategrast | 96.17% | 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. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 1.00
HY-14190A(rac)-Valategrast -
Similarity Score 0.99
HY-14189Valategrast hydrochloride -
Similarity Score 0.81
HY-138542RO0270608 -
Similarity Score 0.58
HY-15770TR-14035 -
Similarity Score 0.54
HY-150124AK34c hydrochloride -
Similarity Score 0.54
HY-150124K34c -
Similarity Score 0.51
HY-103363SB-328437 -
Similarity Score 0.50
HY-103361SB297006 -
Similarity Score 0.50
HY-129578RAsperphenamate (Standard) -
Explore the MedChemAI to find more analogs
References
- [1]. Woodside DG, et al. Cell adhesion antagonists: therapeutic potential in asthma and chronic obstructive pulmonary disease. BioDrugs. 2008;22(2):85-100. [Content Brief]
- [2]. Halland N, et al. Small Macrocycles As Highly Active Integrin α2β1 Antagonists. ACS Med Chem Lett. 2014 Jan 10;5(2):193-8. [Content Brief]
