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KW-6055

CAT: 0804-HY-19085Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19085Size:1 Each
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Description
KW-6055 is a benzylpyridine derivative with anti-amnesic effects. KW-6055 can increase the level of ACh in the brain cholinergic system and stimulate cholinergic neurons.
CAS Number
63233-46-5
UNSPSC
12352005
Target
Cholinesterase (ChE)
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/KW-6055.html
Solubility
10 mM in DMSO
Smiles
CCCC(NC1=CC=C(CC2=NC=CC=C2)C([N+]([O-])=O)=C1)=O
Molecular Formula
C16H17N3O3
Molecular Weight
299.32
References & Citations
[1]Kurokawa M, et al. Effects of KW-6055, a novel benzylpyridine derivative, on central cholinergic systems. Nihon Yakurigaku Zasshi. 1992 Jun;99 (6) :435-43.|[2]Kurokawa M, et al. [Effects of KW-6055, a novel benzylpyridine derivative, on central cholinergic systems]. Nihon Yakurigaku Zasshi. 1992 Jun;99 (6) :435-43. Japanese.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

2-(4-Butyrylamino-2-nitrobenzyl)pyridine
CAS Number63233-46-5
PubChem CID3047323
IUPAC NameN-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]butanamide
Molecular FormulaC16H17N3O3
Molecular Weight299.32
XLogP2.6
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity383
SMILES
CCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O3/c1-2-5-16(20)18-14-8-7-12(15(11-14)19(21)22)10-13-6-3-4-9-17-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,20)
InChIKey
CZKQVCYQBJJAGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Butyrylamino-2-nitrobenzyl)pyridine
CAS: 63233-46-5
CID: 3047323
Formula: C16H17N3O3
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass299.12699141
Monoisotopic Mass299.12699141
Topological Polar Surface Area87.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity383
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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