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α2A-AR agonist 1

CAT: 0804-HY-162620-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162620-01Size:5 mg
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Description
α2A-AR agonist 1 (Compound B9) is a selective agonist for α2-adrenergic receptor (α2A-AR) with EC50 of 0.23 nM. α2A-AR agonist 1 exhibits a hypnotic effect, with ED50 of 0.138 mg/kg in the loss of righting reflex (LORR) experiment. α2A-AR agonist 1 exhibits metabolic stability in mouse liver microsomes[1].
CAS Number
2971825-58-6
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/α2a-ar-agonist-1.html
Purity
99.92
Solubility
DMSO : 87.5 mg/mL (ultrasonic)
Smiles
BrC1=C(C2=CC=C1)OCCC2C3=CNC=N3
Molecular Formula
C12H11BrN2O
Molecular Weight
279.13
References & Citations
[1]Lv X, et al., Designing Chromane Derivatives as α2A-Adrenoceptor Selective Agonists via Conformation Constraint. J Med Chem. 2024 Jun 18.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α adrenergic receptor

Chemical Information

5-(8-bromochroman-4-yl)-1H-imidazole
CAS Number2971825-58-6
PubChem CID169087997
IUPAC Name5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
Molecular FormulaC12H11BrN2O
Molecular Weight279.13
XLogP2.6
Topological Polar Surface Area37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity251
SMILES
C1COC2=C(C1C3=CN=CN3)C=CC=C2Br
InChI
InChI=1S/C12H11BrN2O/c13-10-3-1-2-9-8(4-5-16-12(9)10)11-6-14-7-15-11/h1-3,6-8H,4-5H2,(H,14,15)
InChIKey
CDYNCVBGLQHJIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(8-bromochroman-4-yl)-1H-imidazole
CAS: 2971825-58-6
CID: 169087997
Formula: C12H11BrN2O
MW: 279.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.13
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass278.00548
Monoisotopic Mass278.00548
Topological Polar Surface Area37.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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