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Iroxanadine (hydrobromide)

CAT: 0804-HY-19399CSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19399CSize:1 Each
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Description
Iroxanadine hydrobromide (BRX 005) is a vasculoprotector. Iroxanadine is a p38 kinase and HSP protein dual activator. Iroxanadine hydrobromide has the potential for atherosclerosis and vascular diseases research[1].
CAS Number
276690-62-1
Product Name Alternative
(-) -BRX 005 (hydrobromide) ; (-) -BRX 235 (hydrobromide)
UNSPSC
12352005
Target
HSP; p38 MAPK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; MAPK/ERK Pathway; Metabolic Enzyme/Protease
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/iroxanadine-hydrobromide.html
Smiles
C1(C2=CC=CN=C2)=NOCC(CN3CCCCC3)N1.Br
Molecular Formula
C14H21BrN4O
Molecular Weight
341.25
References & Citations
[1]Denes L, et al. Reverse regulation of endothelial cells and myointimal hyperplasia on cell proliferation by a heatshock protein-coinducer after hypoxia. Stroke. 2008 Mar;39 (3) :1022-4.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Iroxanadine hydrobromide
CAS Number276690-62-1
PubChem CID22466416
IUPAC Name5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide
Molecular FormulaC14H21BrN4O
Molecular Weight341.25
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
C1CCN(CC1)CC2CONC(=N2)C3=CN=CC=C3.Br
InChI
InChI=1S/C14H20N4O.BrH/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12;/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17);1H
InChIKey
JHDYJJZPWVTMRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iroxanadine hydrobromide
CAS: 276690-62-1
CID: 22466416
Formula: C14H21BrN4O
MW: 341.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.25
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass340.08987
Monoisotopic Mass340.08987
Topological Polar Surface Area49.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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