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Chemical structure of MrgprX2 antagonist-4

GC70913

MrgprX2 antagonist-4

Also known as 3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one

MrgprX2 antagonist-4 is an MrgprX2 antagonist extracted from patent US20210128561A1, compound B-51 E117

ChemicalCAS2641398-04-9MW269.34FormulaC16H19N3O
CAS number
2641398-04-9
Molecular weight
269.34
Formula
C16H19N3O
Solubility
DMSO ： 5 mg/mL (18·56 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
GEBQJASGYKVDHG-UHFFFAOYSA-N
Catalogue number
GC70913
Brand
GLPBIO
Computed properties PubChem CID 156312372 · XLogP 3.8 · TPSA 46.9 Ų · H-bond donors 1
XLogP
3.8
TPSA
46.9 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

SMILES CCC1=C(NC2=NC3=C(N2C1=O)C=C(C=C3)C)C(C)C

Computed descriptors from PubChem (CID 156312372), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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