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PSEM 89S TFA

CAT: 0013-GTR19165544-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165544-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PSEM 89S TFA is a brain-penetrant, selective ion channel agonist. It exhibits orthogonal selectivity for the Q79G and L141F mutant receptors, respectively. This compound is a valuable research tool for probing receptor function in both in vitro assays and in vivo central nervous system studies.
CAS Number
1336913-03-1
Product Name Alternative
Channels, nAChR, Nicotinic acetylcholine receptors, inhibit, Ion, Inhibitor, L141F, GlyR, PSEM 89S, PSEM 89S TFA, PSAM, Q79G
Field of Research
Immunology & Inflammation, Neuroscience
Purity
99.90% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.47 mM) ; DMSO:3.33 mg/mL (8.23 mM)
Smiles
OC (=O) C (F) (F) F.COc1ccc (OC) c (c1) C (=O) N[C@@H]1CN2CCC1CC2
Molecular Formula
C18H23F3N2O5
Molecular Weight
404.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-2,5-Dimethoxy-N-(quinuclidin-3-yl)benzamide 2,2,2-trifluoroacetate
CAS Number1336913-03-1
PubChem CID134812840
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
Molecular FormulaC18H23F3N2O5
Molecular Weight404.4
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity452
SMILES
COC1=CC(=C(C=C1)OC)C(=O)N[C@@H]2CN3CCC2CC3.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C16H22N2O3.C2HF3O2/c1-20-12-3-4-15(21-2)13(9-12)16(19)17-14-10-18-7-5-11(14)6-8-18;3-2(4,5)1(6)7/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,19);(H,6,7)/t14-;/m1./s1
InChIKey
GLKCNNXBIUCCJJ-PFEQFJNWSA-N
Chemical Structure
2D Structure
2D structure of (S)-2,5-Dimethoxy-N-(quinuclidin-3-yl)benzamide 2,2,2-trifluoroacetate
CAS: 1336913-03-1
CID: 134812840
Formula: C18H23F3N2O5
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass404.15590632
Monoisotopic Mass404.15590632
Topological Polar Surface Area88.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
6426/5PSEM 89S
MBS5759339PSEM 89S TFA
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