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A-887826

CAT: 0804-HY-100080-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100080-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-887826 is a potent, selective, oral bioavailable and voltage-dependent Na (v) 1.8 sodium channel blocker with an IC50 of 11 nM . A-887826 attenuates neuropathic tactile allodynia in vivo[1].
CAS Number
1266212-81-0
UNSPSC
12352005
Hazard Statement
H301
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/a-887826.html
Concentration
10mM
Purity
99.10
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(C1=CC(C2=CC=C(OCCCC)C(Cl)=C2)=CN=C1)NCC3=CC=CN=C3N4CCOCC4
Molecular Formula
C26H29ClN4O3
Molecular Weight
480.99
Precautions
H301
References & Citations
[1]Zhang XF, et al. A-887826 is a structurally novel, potent and voltage-dependent Na (v) 1.8 sodium channel blocker that attenuates neuropathic tactile allodynia in rats. Neuropharmacology. 2010 Sep;59 (3) :201-7.
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
Nav1.8

Chemical Information

5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide
CAS Number1266212-81-0
PubChem CID46919335
IUPAC Name5-(4-butoxy-3-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
Molecular FormulaC26H29ClN4O3
Molecular Weight481.0
XLogP4.1
Topological Polar Surface Area76.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity621
SMILES
CCCCOC1=C(C=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)Cl
InChI
InChI=1S/C26H29ClN4O3/c1-2-3-11-34-24-7-6-19(15-23(24)27)21-14-22(17-28-16-21)26(32)30-18-20-5-4-8-29-25(20)31-9-12-33-13-10-31/h4-8,14-17H,2-3,9-13,18H2,1H3,(H,30,32)
InChIKey
JPJGFWKHSMUKFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide
CAS: 1266212-81-0
CID: 46919335
Formula: C26H29ClN4O3
MW: 481.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.0
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass480.1928185
Monoisotopic Mass480.1928185
Topological Polar Surface Area76.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity621
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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