CAS 107622-80-0|4-Phenoxybenzylamine

Introduction:Basic information about CAS 107622-80-0|4-Phenoxybenzylamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-Phenoxybenzylamine
CAS Number107622-80-0Molecular Weight199.248
Density1.1±0.1 g/cm3Boiling Point319.6±25.0 °C at 760 mmHg
Molecular FormulaC13H13NOMelting Point/
MSDSUSAFlash Point149.5±16.4 °C

Names

Name4-Phenoxybenzylamine
SynonymMore Synonyms

4-Phenoxybenzylamine BiologicalActivity

Description4-Phenoxybenzylamine inhibits the function of the NS3 protein by stabilizing an inactive conformation with an IC50 of about 500 μM against FL NS3/4a.
Related CatalogSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection
Target

IC50: 500 μM (FL NS3/4a)[1]

In VitroA highly conserved novel binding site located at the interface between the protease and helicase domains of the Hepatitis C Virus (HCV) NS3 protein is identified. 4-Phenoxybenzylamine binding at this allosteric site inhibits the function of the NS3 protein by stabilizing an inactive conformation and thus represents a new class of direct acting antiviral agents[1].
References

[1]. Saalau-Bethell SM, et al. Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function. Nat Chem Biol. 2012 Nov;8(11):920-5.

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point319.6±25.0 °C at 760 mmHg
Molecular FormulaC13H13NO
Molecular Weight199.248
Flash Point149.5±16.4 °C
Exact Mass199.099716
PSA35.25000
LogP3.08
Vapour Pressure0.0±0.7 mmHg at 25°C
Index of Refraction1.595
InChIKeyCCAZAGUSBMVSAR-UHFFFAOYSA-N
SMILESNCc1ccc(Oc2ccccc2)cc1

Safety Information

Hazard CodesC: Corrosive;Xi: Irritant;
Risk PhrasesR36/37/38
Safety Phrases26-36/37/39
HS Code2922299090

Customs

HS Code2922299090
Summary2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

(4-Phenoxyphenyl)methanamine
MFCD01310836
Benzenemethanamine, 4-phenoxy-
1-(4-Phenoxyphenyl)methanamine
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