MRGPRX1 agonist 1 Chemical Properties

Boiling point:

642.0±65.0 °C(Predicted)

Density 

1.365±0.06 g/cm3(Predicted)

storage temp. 

Store at -20°C

solubility 

DMSO : 130 mg/mL (298.51 mM; Need ultrasonic)

pka

8.81±0.10(Predicted)

form 

Solid

color 

White to yellow

InChI

InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)

InChIKey

BWEJNHRMGZUMNU-UHFFFAOYSA-N

SMILES

C1(S(NC2=CC=C(C)C=C2OC2C=CC3=C(C=2)C=CN=C3N)(=O)=O)=CC=CC=C1OC

MRGPRX1 agonist 1 Usage And Synthesis

Biological Activity

MRGPRX1 agonist 1 is a highly potent agonist of MRGPRX1 (Mas-related G-protein-coupled receptor X1), with an EC50 of 50 nM, and is inactive on MRGPRC11. Analgesic effect[1].

References

[1]. Prchalová E, et al. Discovery of Benzamidine- and 1-Aminoisoquinoline-Based Human MAS-Related G-Protein-Coupled Receptor X1 (MRGPRX1) Agonists. J Med Chem. 2019 Sep 26;62(18):8631-8641.