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BAY-6096

CAT: 0013-GTR19235563-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235563-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-6096 is a highly water-soluble, potent, and selective α2B-adrenergic receptor antagonist (IC50 = 14 nM) . It is a valuable research tool for studying α2B receptor function, effectively inhibiting agonist-induced vascular contraction in rat models and applicable in both in vitro and in vivo pharmacological studies.
CAS Number
2313483-41-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[Cl-].O=C (NCC[N+]1=CC=C (C=C1) NC) C=2C=CN3C (=NC=C3C=4C (=NOC4C) C) C2
Molecular Formula
C21H23ClN6O2
Molecular Weight
426.90
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
CAS Number2313483-41-7
PubChem CID153534231
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
Molecular FormulaC21H23ClN6O2
Molecular Weight426.9
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity555
SMILES
CC1=C(C(=NO1)C)C2=CN=C3N2C=CC(=C3)C(=O)NCC[N+]4=CC=C(C=C4)NC.[Cl-]
InChI
InChI=1S/C21H22N6O2.ClH/c1-14-20(15(2)29-25-14)18-13-24-19-12-16(4-10-27(18)19)21(28)23-7-11-26-8-5-17(22-3)6-9-26;/h4-6,8-10,12-13H,7,11H2,1-3H3,(H,23,28);1H
InChIKey
HVVLGXULBVAFRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
CAS: 2313483-41-7
CID: 153534231
Formula: C21H23ClN6O2
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass426.1571017
Monoisotopic Mass426.1571017
Topological Polar Surface Area88.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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