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Azepexole (dihydrochloride)

CAT: 0804-HY-103212Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103212Size:1 mg
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Description
Azepexole (B-HT 933) dihydrochloride is a potent and selective alpha 2-adrenoceptor agonist with pKis of 8.3, 7.6, and 7.5 for α2A-, α2B- and α2C-adrenoceptor subtypes, resepctively[1]. Azepexole dihydrochloride causes concentration-dependent inhibition of peristaltic contractions (IC50= 78.72 nM) [2].
CAS Number
36067-72-8
Product Name Alternative
B-HT 933 (dihydrochloride) ; Oxazoloazepin (dihydrochloride)
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/azepexole-dihydrochloride.html
Solubility
10 mM in DMSO
Smiles
NC(O1)=NC2=C1CCN(CC)CC2.[H]Cl.[H]Cl
Molecular Formula
C9H17Cl2N3O
Molecular Weight
254.16
References & Citations
[1]Altamirano-Espinoza AH, et al. Specific role of α2A - and α2B -, but not α2C -, adrenoceptor subtypes in the inhibition of the vasopressor sympathetic out-flow in diabetic pithed rats. Basic Clin Pharmacol Toxicol. 2015;117 (1) :31-38.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α adrenergic receptor

Chemical Information

Azepexole hydrochloride
CAS Number36067-72-8
PubChem CID169743
IUPAC Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrochloride
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.15
Topological Polar Surface Area55.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity176
SMILES
CCN1CCC2=C(CC1)OC(=N2)N.Cl.Cl
InChI
InChI=1S/C9H15N3O.2ClH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
InChIKey
HBLPYIOKPJVFQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azepexole hydrochloride
CAS: 36067-72-8
CID: 169743
Formula: C9H17Cl2N3O
MW: 254.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.15
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass253.0748676
Monoisotopic Mass253.0748676
Topological Polar Surface Area55.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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