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AVN-322 (free base)

CAT: 0804-HY-107125A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107125A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AVN-322 free base is an orally active, highly selective 5-HT6Rantagonist for central nervous system disease research[1].
CAS Number
1194574-33-8
UNSPSC
12352005
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/avn-322-free-base.html
Smiles
O=S(C1=C2N=CC(CN(C)CC3)=C3N2N=C1NC)(C4=CC=CC=C4)=O
Molecular Formula
C17H19N5O2S
Molecular Weight
357.43
References & Citations
[1]Alexandre V Ivachtchenko, et al. AVN-322 is a Safe Orally Bio-Available Potent and Highly Selective Antagonist of 5-HT6R with Demonstrated Ability to Improve Impaired Memory in Animal Models. Curr Alzheimer Res. 2017;14 (3) :268-294.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT6 Receptor

Chemical Information

AVN-322 free base
CAS Number1194574-33-8
PubChem CID44476436
IUPAC Name5-(benzenesulfonyl)-N,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
Molecular FormulaC17H19N5O2S
Molecular Weight357.4
XLogP1.9
Topological Polar Surface Area88
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity574
SMILES
CNC1=NN2C3=C(CN(CC3)C)C=NC2=C1S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-10-12-11-21(2)9-8-14(12)22(17)20-16/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)
InChIKey
OSHBEPOEBKFEEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AVN-322 free base
CAS: 1194574-33-8
CID: 44476436
Formula: C17H19N5O2S
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass357.12594604
Monoisotopic Mass357.12594604
Topological Polar Surface Area88 Ų
Heavy Atom Count25
Formal Charge0
Complexity574
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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