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2-Aminoquinoline

CAT: 0804-HY-W007524-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W007524-01Size:1 g
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Description
2-Aminoquinoline (2-Quinolinamine) is a promising compound as bioavailable nNOS inhibitor but suffers from low human nNOS inhibition, low selectivity versus human eNOS, and significant binding to other CNS targets. 2-Aminoquinoline exhibits antiviral activity against the vaccinia virus. 2-Aminoquinoline has the potential for the research of antineurodegenerative agents[1][2].
CAS Number
580-22-3
Product Name Alternative
2-Quinolinamine
UNSPSC
12352005
Hazard Statement
H315, H319
Target
NO Synthase; Orthopoxvirus
Type
Reference compound
Related Pathways
Anti-infection; Immunology/Inflammation
Applications
Neuroscience-Neuromodulation
Field of Research
Infection; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/2-aminoquinoline.html
Purity
99.95
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=NC2=CC=CC=C2C=C1
Molecular Formula
C9H8N2
Molecular Weight
144.18
Precautions
H315, H319
References & Citations
[1]Pensa AV, et al. Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J Med Chem. 2017;60 (16) :7146-7165.|[2]Smee DF, et, al. A review of compounds exhibiting anti-orthopoxvirus activity in animal models. Antiviral Res. 2003 Jan;57 (1-2) :41-52.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NNOS

Chemical Information

2-Aminoquinoline

1,2-Dihydroquinolin-2-imine is an aminoquinoline.

CAS Number580-22-3
PubChem CID11379
IUPAC Namequinolin-2-amine
Molecular FormulaC9H8N2
Molecular Weight144.17
XLogP1.9
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1=CC=C2C(=C1)C=CC(=N2)N
InChI
InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
InChIKey
GCMNJUJAKQGROZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminoquinoline
CAS: 580-22-3
CID: 11379
Formula: C9H8N2
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass144.068748264
Monoisotopic Mass144.068748264
Topological Polar Surface Area38.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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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