4-PHENOXYBENZYLAMINE
- Product Name
- 4-PHENOXYBENZYLAMINE
- CAS No.
- 107622-80-0
- Chemical Name
- 4-PHENOXYBENZYLAMINE
- Synonyms
- AKOS B022085;ART-CHEM-BB B022085;RARECHEM AL BW 0345;4-PHENOXYBENZYLAMINE;4-Phenyloxybenzylamine;4-Phenoxybenzenemethanamine;(4-PHENOXYPHENYL)METHYLAMINE;1-(4-phenoxyphenyl)methanamine;BenzeneMethanaMine, 4-phenoxy-;4-Phenoxybenzylamine, 10 mM in DMSO
- CBNumber
- CB5496424
- Molecular Formula
- C13H13NO
- Formula Weight
- 199.25
- MOL File
- 107622-80-0.mol
4-PHENOXYBENZYLAMINE Property
- Boiling point:
- 138°C 5mm
- Density
- 1,12 g/cm3
- refractive index
- 1.59
- Flash point:
- 150℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in DMSO
- form
- clear liquid
- pka
- 9.13±0.10(Predicted)
- color
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
- InChIKey
- CCAZAGUSBMVSAR-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=C(OC2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 107622-80-0(CAS DataBase Reference)
Safety
- Hazard Codes
- C,Xi,N,T
- Risk Statements
- 36/37/38-50-41-37/38-25
- Safety Statements
- 26-36/37/39-61-45-39
- RIDADR
- UN 2811 6.1 / PGIII
- WGK Germany
- 3
- HazardClass
- IRRITANT, IRRITANT-HARMFUL
- HS Code
- 2922290090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
H410Very toxic to aquatic life with long lasting effects
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- CDS004637
- Product name
- 4-phenoxybenzylamine
- Purity
- AldrichCPR
- Packaging
- 100mg
- Price
- $73.1
- Updated
- 2025/07/31
- Product number
- P2664
- Product name
- 4-Phenoxybenzylamine
- Purity
- min. 98.0 %
- Packaging
- 5G
- Price
- $56
- Updated
- 2025/07/31
- Product number
- P2664
- Product name
- 4-Phenoxybenzylamine
- Purity
- min. 98.0 %
- Packaging
- 25G
- Price
- $226
- Updated
- 2025/07/31
- Product number
- P320823
- Product name
- (4-Phenoxyphenyl)methanamine
- Packaging
- 10mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 288079
- Product name
- 4-Phenoxybenzylamine
- Packaging
- 5g
- Price
- $353
- Updated
- 2021/12/16
4-PHENOXYBENZYLAMINE Chemical Properties,Usage,Production
Uses
4-Phenoxybenzylamine inhibits the function of the NS3 protein by stabilizing an inactive conformation with an IC50 of about 500 μM against FL NS3/4a.
Biological Activity
4-Phenoxybenzylamine inhibits the function of NS3 protein by stabilizing the inactive conformation, and inhibits FL NS3/4a with an IC50 value of approximately 500 μM.
Synthesis
3096-81-9
107622-80-0
The general procedure for the synthesis of 4-phenoxybenzylamine from 4-phenoxybenzonitrile was as follows: 4-phenoxybenzonitrile (200 mg, 1.00 mmol) was dissolved in 8 mL of methanol, and 5% Pd/C catalyst (0.2 equiv, 400 mg) was added. The reaction was stirred under hydrogen atmosphere for 3 h. The reaction was filtered through diatomaceous earth after completion. The filtrate was purified by preparative thin layer chromatography (pTLC) to afford 4-phenoxybenzylamine as a white solid (179 mg, 88% yield) using a dichloromethane solution containing 10% methanol and 2% triethylamine as an unfolding agent. Subsequently, compound 42 (1.1 eq., 22 mg) was dissolved in toluene and 2,5-dimethoxyaniline (1 eq., 8 mg), BINAP (0.3 eq., 11 mg), Pd(OAc)2 (0.15 eq., 2 mg), and Cs2CO3 (2.5 eq., 46 mg) were added and the mixture was stirred and reacted for 15 hr at 105 °C. At the end of the reaction, the solvent was removed under reduced pressure and the crude product was purified by silica gel column chromatography using ethyl acetate as eluent. Finally, the compound was further purified by preparative thin layer chromatography (pTLC) using hexane solution containing 50% ethyl acetate as the unfolding agent to afford compound 34 as a colorless oil (12.4 mg, 48% yield).
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.
target
IC50: 500 μM (FL NS3/4a)
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. DOI:10.1038/nchembio.1081
4-PHENOXYBENZYLAMINE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-PHENOXYBENZYLAMINE manufacturers
- Product
- 4-PHENOXYBENZYLAMINE 107622-80-0
- Price
- US $2.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2018-12-24