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Mrgx2 antagonist-3

CAT: 0804-HY-176446-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-176446-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mrgx2 antagonist-3 (Compound B-40) is a highly selective antagonist of MrgX2 receptor with an IC50 value of 0.042-2.5 nM. Mrgx2 antagonist-3 blocks downstream G protein signaling and β-Arrestin recruitment, thereby inhibiting MrgX2 receptor-mediated calcium influx and cellular degranulation. Mrgx2 antagonist-3 is promising for research of inflammation-related diseases and pruritus, such as chronic urticaria, allergic asthma[1].
CAS Number
2641397-91-1
UNSPSC
12352005
Target
Mas-related G-protein-coupled Receptor (MRGPR)
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Purity
98.09
Solubility
DMSO : 10 mg/mL (ultrasonic; warming)
Smiles
O=C1C(CC)=C(C(C)C)N=C2NC3=CC(F)=C(C=C3N12)F
Molecular Formula
C15H15F2N3O
Molecular Weight
291.30
References & Citations
[1]Christa Müller, et al. MRGX Receptor Antagonists. US20210128561A1. 2021-05-06.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-ethyl-7,8-difluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
CAS Number2641397-91-1
PubChem CID156312443
IUPAC Name3-ethyl-7,8-difluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
Molecular FormulaC15H15F2N3O
Molecular Weight291.30
XLogP3.7
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity480
SMILES
CCC1=C(NC2=NC3=CC(=C(C=C3N2C1=O)F)F)C(C)C
InChI
InChI=1S/C15H15F2N3O/c1-4-8-13(7(2)3)19-15-18-11-5-9(16)10(17)6-12(11)20(15)14(8)21/h5-7H,4H2,1-3H3,(H,18,19)
InChIKey
RHWXSISNXGMNNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-ethyl-7,8-difluoro-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
CAS: 2641397-91-1
CID: 156312443
Formula: C15H15F2N3O
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass291.11831843
Monoisotopic Mass291.11831843
Topological Polar Surface Area46.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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