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EeAChE/eqBuChE-IN-1

CAT: 0804-HY-157394Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-157394Size:1 Each
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Description
EeAChE/eqBuChE-IN-1 (compound 3F) is a reversible dual eeAChE/eqBuChE inhibitor with IC50s of 1.3 μM and 0.81 μM, respectively. eeAChE/eqBuChE-IN-1 exhibits anti-inflammatory activity. eeAChE/eqBuChE-IN-1 also shows neuroprotective effect on Aβ25-35-induced PC12 cell injury[1].
CAS Number
2921654-26-2
UNSPSC
12352005
Target
Cholinesterase (ChE)
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/eeache-eqbuche-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C2C=CC=NC2=CC=C1)N(CC)CC
Molecular Formula
C14H16N2O2
Molecular Weight
244.29
References & Citations
[1]Chen h, et, al. Design, synthesis and evaluation of quinoline- O-carbamate derivatives as multifunctional agents for the treatment of Alzheimer's disease. J Enzyme Inhib Med Chem. 2023 Dec;38 (1) :2169682.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

eeAChE/eqBuChE-IN-1
CAS Number2921654-26-2
PubChem CID169494508
IUPAC Namequinolin-5-yl N,N-diethylcarbamate
Molecular FormulaC14H16N2O2
Molecular Weight244.29
XLogP3.1
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity279
SMILES
CCN(CC)C(=O)OC1=CC=CC2=C1C=CC=N2
InChI
InChI=1S/C14H16N2O2/c1-3-16(4-2)14(17)18-13-9-5-8-12-11(13)7-6-10-15-12/h5-10H,3-4H2,1-2H3
InChIKey
SHKIQFQVGNQOJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of eeAChE/eqBuChE-IN-1
CAS: 2921654-26-2
CID: 169494508
Formula: C14H16N2O2
MW: 244.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.29
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass244.121177757
Monoisotopic Mass244.121177757
Topological Polar Surface Area42.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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