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5-BDBD

CAT: 0804-HY-101911-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101911-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-BDBD, a potent and selective P2X4 receptor antagonist, inhibits rP2X4R-mediated currents, with an IC50 of 0.75 μM. 5-BDBD completely blocks the basal and acute hyperalgesia induced by nitroglycerin (NTG) [1][2].
CAS Number
768404-03-1
UNSPSC
12352005
Hazard Statement
H302
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/5-bdbd.html
Concentration
10mM
Purity
99.94
Solubility
DMSO : 62.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1CN=C(C2=CC=CC(Br)=C2)C(OC3=CC=CC=C34)=C4N1
Molecular Formula
C17H11BrN2O2
Molecular Weight
355.19
Precautions
H302
References & Citations
[1]Coddou C, et al. Characterization of the antagonist actions of 5-BDBD at the rat P2X4 receptor. Neurosci Lett. 2019;690:219-224.|[2]Long T, et al. Microglia P2X4 receptor contributes to central sensitization following recurrent nitroglycerin stimulation. J Neuroinflammation. 2018;15 (1) :245. Published 2018 Aug 30.
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
P2X4 Receptor

Chemical Information

5-(3-bromophenyl)-1,3-dihydro-2H-benzofuro(3,2-e)-1,4-diazepin-2-one

a P2X4 receptor antagonist; structure in first source

CAS Number768404-03-1
PubChem CID9841560
IUPAC Name5-(3-bromophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
Molecular FormulaC17H11BrN2O2
Molecular Weight355.2
XLogP3.8
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity481
SMILES
C1C(=O)NC2=C(C(=N1)C3=CC(=CC=C3)Br)OC4=CC=CC=C42
InChI
InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)
InChIKey
NKYMVQPXXTZHSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-bromophenyl)-1,3-dihydro-2H-benzofuro(3,2-e)-1,4-diazepin-2-one
CAS: 768404-03-1
CID: 9841560
Formula: C17H11BrN2O2
MW: 355.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.2
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass354.00039
Monoisotopic Mass354.00039
Topological Polar Surface Area54.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity481
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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Alternative Products

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