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SIB 1663

CAT: 0804-HY-105330Size: 1 EachDry Ice: NoHazardous: No
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Description
SIB 1663 is a conformationally restricted analog of nicotine. SIB-1663 selectively activatedα2β4 and α4β4 human recombinant neuronal nAChRs. SIB 1663 can increase DA and NE release. SIB 1663 can be used for the research of neurological disease[1].
CAS Number
179064-11-0
UNSPSC
12352005
Target
NAChR
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
COC1=NC=C2C(CCC3CCNC23)=C1
Molecular Formula
C12H16N2O
Molecular Weight
204.27
References & Citations
[1]Rao TS, et al. Pharmacological characterization of SIB-1663, a conformationally rigid analog of nicotine. Brain Res. 2004 Apr 2;1003 (1-2) :42-53.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
CAS Number179064-11-0
PubChem CID10219887
IUPAC Name7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
Molecular FormulaC12H16N2O
Molecular Weight204.27
XLogP1.3
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity234
SMILES
COC1=NC=C2C3C(CCC2=C1)CCN3
InChI
InChI=1S/C12H16N2O/c1-15-11-6-9-3-2-8-4-5-13-12(8)10(9)7-14-11/h6-8,12-13H,2-5H2,1H3
InChIKey
PXBSPNGMNRTLCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
CAS: 179064-11-0
CID: 10219887
Formula: C12H16N2O
MW: 204.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.27
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass204.126263138
Monoisotopic Mass204.126263138
Topological Polar Surface Area34.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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