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(Rac) -LSN2814617

CAT: 0804-HY-118256A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118256A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(Rac) -LSN2814617 is a racemate of LSN2814617.
CAS Number
1313498-08-6
UNSPSC
12352005
Target
MGluR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rac-lsn2814617.html
Smiles
FC1=CC=C(C=C1)C2=NOC(C3CC4=NN=C(N4CC3)C(C)(C)C)=N2
Molecular Formula
C18H20FN5O
Molecular Weight
341.38
References & Citations
[1]Gilmour G, et al. In vitro characterisation of the novel positive allosteric modulators of the mGlu₅ receptor, LSN2463359 and LSN2814617, and their effects on sleep architecture and operant responding in the rat. Neuropharmacology. 2013 Jan;64:224-39.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Lsn2814617

Receptor, Metabotropic Glutamate 5 agonist

CAS Number1313498-08-6
PubChem CID53252525
IUPAC Name5-[(7S)-3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
Molecular FormulaC18H20FN5O
Molecular Weight341.4
XLogP3.3
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity465
SMILES
CC(C)(C)C1=NN=C2N1CC[C@@H](C2)C3=NC(=NO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1
InChIKey
NPRJTKMKUYJGAL-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Lsn2814617
CAS: 1313498-08-6
CID: 53252525
Formula: C18H20FN5O
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass341.16518844
Monoisotopic Mass341.16518844
Topological Polar Surface Area69.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity465
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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