Products for Research Use Only

β-NETA

CAT: 0013-GTR19175461-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175461-01Size:10 mg
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Description
β-NETA is a stable, slowly reversible inhibitor of choline acetyltransferase (ChAT; IC50=9 μM) and a potent CMKLR1 antagonist, exhibiting anticancer activity in research models. It also weakly inhibits cholinesterases. This compound is used in oncology and neuropharmacology research, including in vitro and in vivo studies of tumor progression and inflammation.
CAS Number
31059-54-8
Product Name Alternative
Inhibit, KCl, Inhibitor, histamine, ChA, ChAT, ChE, choline acetyltransferase, cholinesterase, Cholinesterase (ChE), CMKLR1, b-NETA, beta-NETA, Apoptosis, a-NETA, AChE, acetylcholinesterase, alpha-NETA, α-NETA, β NETA, βNETA, β-NETA
Field of Research
Cell Biology, Neuroscience
Purity
98.00% (May vary between batches)
Solubility
DMSO:31.25 mg/mL (84.63 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.42 mM)
Smiles
[I-].C[N+] (C) (C) CCC (=O) c1ccc2ccccc2c1
Molecular Formula
C16H20INO
Molecular Weight
369.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Naphthoylethyltrimethylammonium

structure given in first source; RN given refers to iodide

CAS Number31059-54-8
PubChem CID169245
IUPAC Nametrimethyl-(3-naphthalen-2-yl-3-oxopropyl)azanium iodide
Molecular FormulaC16H20INO
Molecular Weight369.24
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity292
SMILES
C[N+](C)(C)CCC(=O)C1=CC2=CC=CC=C2C=C1.[I-]
InChI
InChI=1S/C16H20NO.HI/c1-17(2,3)11-10-16(18)15-9-8-13-6-4-5-7-14(13)12-15;/h4-9,12H,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey
LIFHUGCXEAQKRZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Naphthoylethyltrimethylammonium
CAS: 31059-54-8
CID: 169245
Formula: C16H20INO
MW: 369.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight369.24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass369.05896
Monoisotopic Mass369.05896
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity292
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