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5-Iodowillardiine

CAT: 0804-HY-100837-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100837-01Size:5 mg
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Description
5-Iodowillardiine is a potent and selective kainate receptor agonist. 5-Iodowillardiine is selective for kainate receptors composed of hGluR5 subunits[1].
CAS Number
140187-25-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
IGluR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/5-iodowillardiine.html
Solubility
10 mM in DMSO
Smiles
OC([C@@H](N)CN1C(NC(C(I)=C1)=O)=O)=O
Molecular Formula
C7H8IN3O4
Molecular Weight
325.06
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Jane DE, et al. Synthesis of willardiine and 6-azawillardiine analogs: pharmacological characterization on cloned homomeric human AMPA and kainate receptor subtypes. J Med Chem. 1997 Oct 24;40 (22) :3645-50.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Iodo-Willardiine
CAS Number140187-25-3
PubChem CID447196
IUPAC Name(2S)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acid
Molecular FormulaC7H8IN3O4
Molecular Weight325.06
XLogP-3.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity354
SMILES
C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I
InChI
InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKey
AXXYLTBQIQBTES-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of Iodo-Willardiine
CAS: 140187-25-3
CID: 447196
Formula: C7H8IN3O4
MW: 325.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.06
XLogP3-3.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass324.95595
Monoisotopic Mass324.95595
Topological Polar Surface Area113 Ų
Heavy Atom Count15
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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