| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C24H20F3N5O3S |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
MRS4458 is an antagonist of the P2Y14 receptor with anti-inflammatory activity, acting by increasing neutrophil motility. Its design was based on interaction with the P2Y14 receptor and optimized by molecular dynamics simulation, giving it good shape complementarity with the receptor; the predicted substitution of its 5-phenyl group with thiophene was generally consistent with empirical results, and its biological activity was confirmed by fluorescence assay, showing a potent antagonistic effect[1]. It has the molecular formula C24H20F3N5O3S and a molecular weight of 515.51 g/mol.
Physical & Chemical Properties
| CAS Number | 2225834-49-9 |
|---|---|
| Molecular Formula | C24H20F3N5O3S |
| Molecular Weight | 515.51 g/mol |
| 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 |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description. Peer-reviewed publications that used this product are listed under References.
[1]. Structure-Guided Modification of Heterocyclic Antagonists of the P2Y14 Receptor
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
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