PSB-22040

PSB-22040
Identifiers
	IUPAC name 4-[8-[2-(3-methoxyphenyl)ethyl]-7-methyl-2,6-dioxo-1-prop-2-ynylpurin-3-yl]butylphosphonic acid;
CAS Number	2768131-35-5;
PubChem CID	163254818;
ChEMBL	ChEMBL5408226;
Chemical and physical data
Formula	C22H27N4O6P
Molar mass	474.454 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN1C(=NC2=C1C(=O)N(C(=O)N2CCCCP(=O)(O)O)CC#C)CCC3=CC(=CC=C3)OC;
	InChI InChI=1S/C22H27N4O6P/c1-4-12-26-21(27)19-20(25(22(26)28)13-5-6-14-33(29,30)31)23-18(24(19)2)11-10-16-8-7-9-17(15-16)32-3/h1,7-9,15H,5-6,10-14H2,2-3H3,(H2,29,30,31); Key:AZZJGHGFQWAMCB-UHFFFAOYSA-N;

PSB-22040 is an experimental drug that acts as a potent and selective agonist of the MAS-related Gq protein-coupled receptor X4 (MRGPRX4). This receptor is poorly characterised but is thought to be involved in immune system function, and development of selective ligands is essential for researching its role in the body.^[1]

References

^ Marx D, Alnouri MW, Clemens S, Gedschold R, Riedel Y, Al Hamwi G, et al. (December 2023). "Discovery of Potent Agonists for the Predominant Variant of the Orphan MAS-Related G Protein-Coupled Receptor X4 (MRGPRX4)". Journal of Medicinal Chemistry. 66 (23): 15674–15698. doi:10.1021/acs.jmedchem.3c01013. PMID 37967029.

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[1] Marx D, Alnouri MW, Clemens S, Gedschold R, Riedel Y, Al Hamwi G, et al. (December 2023). "Discovery of Potent Agonists for the Predominant Variant of the Orphan MAS-Related G Protein-Coupled Receptor X4 (MRGPRX4)". Journal of Medicinal Chemistry. 66 (23): 15674–15698. doi:10.1021/acs.jmedchem.3c01013. PMID 37967029.

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