VU0514009

VU0514009
Identifiers
	IUPAC name 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide;
CAS Number	932973-77-8;
PubChem CID	16875894;
ChemSpider	20425435;
Chemical and physical data
Formula	C21H20ClN3O5S2
Molar mass	493.98 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl;
	InChI InChI=1S/C21H20ClN3O5S2/c1-12-4-7-17(30-3)16(8-12)24-19(26)11-31-21-23-10-18(20(27)25-21)32(28,29)14-6-5-13(2)15(22)9-14/h4-10H,11H2,1-3H3,(H,24,26)(H,23,25,27); Key:UODSZPFBKYQNFN-UHFFFAOYSA-N;

FormulaC₂₁H₂₀ClN₃O₅S₂

VU0514009 is a synthetic drug derived through high-throughput screening which acts as a selective antagonist of the CMKLR1 receptor, though also shows some affinity for the closely related receptor GPR1. It was developed for research into the structure and function of these receptors, and several related compounds have been derived from the initial screening hit.^[1]

[1]

Identifiers

IUPAC name 2-{[5-(3-chloro-4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
CAS Number	932973-77-8
PubChem CID	16875894
ChemSpider	20425435
Chemical and physical data
Formula	C₂₁H₂₀ClN₃O₅S₂
Molar mass	493.98 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl
InChI InChI=1S/C21H20ClN3O5S2/c1-12-4-7-17(30-3)16(8-12)24-19(26)11-31-21-23-10-18(20(27)25-21)32(28,29)14-6-5-13(2)15(22)9-14/h4-10H,11H2,1-3H3,(H,24,26)(H,23,25,27) Key:UODSZPFBKYQNFN-UHFFFAOYSA-N

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