ChemicalBook--->CAS DataBase List--->2377379-39-8

2377379-39-8

2377379-39-8 Structure

2377379-39-8 Structure
IdentificationBack Directory
[Name]

MRGPRX1 agonist 1
[CAS]

2377379-39-8
[Synonyms]

MRGPRX1 agonist 1
[Molecular Formula]

C23H21N3O4S
[MDL Number]

MFCD32263428
[MOL File]

2377379-39-8.mol
[Molecular Weight]

435.5
Chemical PropertiesBack Directory
[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)
[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
Spectrum DetailBack Directory
[Spectrum Detail]

MRGPRX1 agonist 1(2377379-39-8)1HNMR
Hazard InformationBack Directory
[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].
[storage]

Store at -20°C
[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.
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