2225834-49-9
Chemical Structure
MRS4458
- CAS No.: 2225834-49-9
- Formula:C24H20F3N5O3S
- Molecular Weight:515.51
IUPAC Name: 3-(5-((3-aminopropyl)carbamoyl)thiophen-2-yl)-5-(4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)benzoic acid
InChIKey: VYXSDIPOJBFWHQ-UHFFFAOYSA-N
SMILES: O=C(C1=CC(C2=CC=C(C(NCCCN)=O)S2)=CC(N3N=NC(C4=CC=C(C(F)(F)F)C=C4)=C3)=C1)O
Biological Activity: MRS4458 is a P2Y14 receptor antagonist with anti-inflammatory activity. MRS4458 mediates inflammatory activity by activating the motility of neutrophils. The design of MRS4458 is based on the interaction with the P2Y14 receptor and optimized by molecular dynamic simulation. MRS4458 performs well in terms of shape and complementarity with the receptor. The prediction that the 5-phenyl group of MRS4458 is substituted with thiophene is generally consistent with empirical results. The biological activity of MRS4458 was verified by fluorescence assay, showing its potent antagonistic effect[1].
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MRS4458 | MRS4458 is a P2Y14 receptor antagonist with anti-inflammatory activity. MRS4458 mediates inflammatory activity by activating the motility of neutrophils. The design of MRS4458 is based on the interaction with the P2Y14 receptor and optimized by molecular dynamic simulation. MRS4458 performs well in terms of shape and complementarity with the receptor. The prediction that the 5-phenyl group of MRS4458 is substituted with thiophene is generally consistent with empirical results. The biological activity of MRS4458 was verified by fluorescence assay, showing its potent antagonistic effect. | |||||||||||||||||||||
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Keywords
