2-Heptyl-4-hydroxyquinoline n-oxide

Base Information

• Chemical Name: 2-Heptyl-4-hydroxyquinoline n-oxide
• CAS No.: 341-88-8
• Molecular Formula: C₁₆H₂₁NO₂
• Molecular Weight: 259.348
• Hs Code.: 2933499090
• UNII: 1FU5S5CG6A
• DSSTox Substance ID: DTXSID20955644
• Nikkaji Number: J134.034D,J2.476.981J
• Wikidata: Q27097153,Q105111165
• Metabolomics Workbench ID: 51693,159088
• ChEMBL ID: CHEMBL1233401,CHEMBL4764074
• Mol file: 341-88-8.mol

Synonyms:2-(n-heptyl)-4-hydroxyquinoline N-oxide;2-heptyl-4-hydroxyquinoline N-oxide;2-HQNO;4-hydroxy-2-heptylquinoline-N-oxide;HHXQN-NO;HOQNO cpd;KF 8940;KF-8940

Chemical Property of 2-Heptyl-4-hydroxyquinoline n-oxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 156-157°
• Boiling Point: 385.8°Cat760mmHg
• PKA: 1.07±0.40(Predicted)
• Flash Point: 187.1°C
• PSA: 42.23000
• Density: 1.116g/cm³
• LogP: 3.75170
• Storage Temp.: −20°C
• Solubility.: Soluble in DMSO (up to 8 mg/ml with warming), or in Ethanol (up to 13 mg/ml with warming).
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 259.157228913
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

99%, ^*data from raw suppliers

HQNO ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
• Description: HQNO (341-88-8) is a naturally occurring antagonist of dihydrostreptomycin. Potent inhibitor of the respiratory chain binding to the mitochondrial cytochrome b protein. HQNO inhibits NADH oxidase (NADH) and Na+-dependent NADH-quinone reductase (NQR).
• Uses: HQNO is a streptomycin antagonist. A naturally occurring antagonist of dihydrostreptomycin.

Technology Process of 2-Heptyl-4-hydroxyquinoline n-oxide

There total 1 articles about 2-Heptyl-4-hydroxyquinoline n-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-(2-aminophenyl)-3-oxopropanoic acid (16662-90-1) + octanoyl coenzyme A (1264-52-4) → 2 heptyl 4 hydroxyquinoline 1 oxide (341-88-8) + 2-heptyl-quinolin-4(1H)-one (40522-46-1)

Guidance literature:

With FAD reductase HpaC; PqsBC; PqsL; oxygen; flavin adenine dinucleotide; NADH; In aq. buffer; at 30 ℃; Reagent/catalyst; Enzymatic reaction;

DOI:10.1074/jbc.RA117.000789

Reference yield:

2 heptyl 4 hydroxyquinoline 1 oxide (341-88-8) → 4-hydroxy-2-heptylquinoline (2503-80-2)

Guidance literature:

With acetic acid; zinc;

DOI:10.1021/acschembio.7b00345

upstream raw materials:

3-(2-aminophenyl)-3-oxopropanoic acid

octanoyl coenzyme A

Downstream raw materials:

4-hydroxy-2-heptylquinoline

Refernces