[CAS NO. 107622-80-0] 4-Phenoxybenzylamine

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PRODUCTS SPECIFICATIONS [107622-80-0]

Catalog

HY-18563

Brand

MCE

CAS

107622-80-0

DESCRIPTION [107622-80-0]

Overview

MDL	MFCD01310836
Molecular Weight	199.25
Molecular Formula	C13H13NO
SMILES	NCC1=CC=C(OC2=CC=CC=C2)C=C1

For research use only. We do not sell to patients.

Summary

4-Phenoxybenzylamine inhibits the function of the NS3 protein by stabilizing an inactive conformation with an IC ₅₀ of about 500 μM against FL NS3/4a.

IC50 & Target

IC50: 500 μM (FL NS3/4a) ^[1]

In Vitro

A 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] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Appearance

Liquid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 12.5 mg/mL ( 62.74 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	5.0188 mL	25.0941 mL	50.1882 mL
5 mM	1.0038 mL	5.0188 mL	10.0376 mL
10 mM	0.5019 mL	2.5094 mL	5.0188 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 1.25 mg/mL (6.27 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: 1.25 mg/mL (6.27 mM); Suspended solution; Need ultrasonic
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 1.25 mg/mL (6.27 mM); Clear solution

* All of the co-solvents are available by MCE.

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.

Synonyms

Benzenemethanamine, 4-phenoxy-

4-Phenoxybenzenemethanamine

4-Phenoxybenzylamine

(4-Phenoxyphenyl)methanamine

4-(Phenyloxy)benzylamine

1-(4-Phenoxyphenyl)methanamine