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P2X4 antagonist-5

CAT: 0804-HY-W097612-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W097612-01Size:500 mg
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Description
P2X4 antagonist-5 (compound 63) is a control compound for P2X4 antagonists (IC50>100 μM, hP2X4) [1].
CAS Number
28721-09-7
UNSPSC
12352005
Hazard Statement
H302
Target
P2X Receptor
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Others
Purity
99.14
Smiles
COC1=CC2=CC=CC=C2N(C(N)=O)C3=CC=CC=C31
Molecular Formula
C16H14N2O2
Molecular Weight
266.29
Precautions
H302
References & Citations
[1]Tian M, et al. Carbamazepine derivatives with P2X4 receptor-blocking activity. Bioorg Med Chem. 2014 Feb 1;22 (3) :1077-88.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

10-methoxy-5H-dibenz(b,f)azepine-5-carboxamide
CAS Number28721-09-7
PubChem CID120031
IUPAC Name5-methoxybenzo[b][1]benzazepine-11-carboxamide
Molecular FormulaC16H14N2O2
Molecular Weight266.29
XLogP2.5
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity407
SMILES
COC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N
InChI
InChI=1S/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19)
InChIKey
PIZOFBKQWNPKDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-methoxy-5H-dibenz(b,f)azepine-5-carboxamide
CAS: 28721-09-7
CID: 120031
Formula: C16H14N2O2
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass266.105527694
Monoisotopic Mass266.105527694
Topological Polar Surface Area55.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity407
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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