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SGS518 (oxalate)

CAT: 0804-HY-19668ASize: 1 EachDry Ice: NoHazardous: No
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Description
SGS518 oxalate is a selective 5-HT6R antagonist. SGS518 oxalate can be used for the research of cognitive impairments such as amnesia, anxiety and depression, and it is effective in protecting mouse retina at high doses[1]
CAS Number
445441-27-0
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/sgs518-oxalate.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=C(F)C=CC=C1F)(OC2=CC3=C(N(C)C=C3C4CCN(C)CC4)C=C2)=O.O=C(O)C(O)=O
Molecular Formula
C23H24F2N2O7S
Molecular Weight
510.51
References & Citations
[1]Chen Y, et, al. Systems pharmacology identifies drug targets for Stargardt disease-associated retinal degeneration. J Clin Invest. 2013 Dec; 123 (12) : 5119-34.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT6 Receptor

Chemical Information

SGS518 (oxalate)
CAS Number445441-27-0
PubChem CID24880040
IUPAC Name[1-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate;oxalic acid
Molecular FormulaC23H24F2N2O7S
Molecular Weight510.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity727
SMILES
CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C21H22F2N2O3S.C2H2O4/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23;3-1(4)2(5)6/h3-7,12-14H,8-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
XQGFYENETWVJEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SGS518 (oxalate)
CAS: 445441-27-0
CID: 24880040
Formula: C23H24F2N2O7S
MW: 510.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass510.12722861
Monoisotopic Mass510.12722861
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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