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Dabelotine (methanesulfonate)

CAT: 0804-HY-106933ASize: 1 EachDry Ice: NoHazardous: No
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Description
Dabelotine (methanesulfonate) is a cognitive enhancer. Dabelotine (methanesulfonate) can be used for Alzheimer disease (AD) research[1].
CAS Number
153049-48-0
Product Name Alternative
S 12024-2
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/dabelotine-methanesulfonate.html
Solubility
10 mM in DMSO
Smiles
CN1C(C(CCC1)=CC=C2)=C2OCC3CNCCO3.OS(=O)(C)=O
Molecular Formula
C16H26N2O5S
Molecular Weight
358.45
References & Citations
[1]Gualtieri F, et al. Design and study of piracetam-like nootropics, controversial members of the problematic class of cognition-enhancing drugs[J]. Current pharmaceutical design, 2002, 8 (2) : 125-138.|[2]Huan WANG, et al. Method of making 1- (acyloxy) -alkyl carbamate compounds.US20140243544A1.2016-06-21
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1 Methyl-8-((morpholin-2-yl)methoxy)-1,2,3,4-tetrahydroquinoline monomethane sulfonate
CAS Number153049-48-0
PubChem CID177948
IUPAC Namemethanesulfonic acid;2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
Molecular FormulaC16H26N2O5S
Molecular Weight358.5
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity380
SMILES
CN1CCCC2=C1C(=CC=C2)OCC3CNCCO3.CS(=O)(=O)O
InChI
InChI=1S/C15H22N2O2.CH4O3S/c1-17-8-3-5-12-4-2-6-14(15(12)17)19-11-13-10-16-7-9-18-13;1-5(2,3)4/h2,4,6,13,16H,3,5,7-11H2,1H3;1H3,(H,2,3,4)
InChIKey
RSEKRLGWBUABQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1 Methyl-8-((morpholin-2-yl)methoxy)-1,2,3,4-tetrahydroquinoline monomethane sulfonate
CAS: 153049-48-0
CID: 177948
Formula: C16H26N2O5S
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass358.15624311
Monoisotopic Mass358.15624311
Topological Polar Surface Area96.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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