4-Phenoxybenzylamine structure, CAS 107622-80-0

4-Phenoxybenzylamine

CAS Number107622-80-0

Synonyms(4-Phenoxyphenyl)methanamine; MFCD01310836; 1-(4-Phenoxyphenyl)methanamine

Molecular FormulaC13H13NO

Molecular Weight199.25

Purity

Density1.1±0.1 g/cm3

Boiling Point319.6±25.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9076258 Purity:
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Quality Control of [ 107622-80-0 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number107622-80-0
Catalog No.2A-9076258
Chinese Name4-苯氧基苄胺
Synonyms(4-Phenoxyphenyl)methanamine; MFCD01310836; 1-(4-Phenoxyphenyl)methanamine
Molecular FormulaC13H13NO
Molecular Weight199.25
Density1.1±0.1 g/cm3
Boiling Point319.6±25.0 °C at 760 mmHg
Appearancesolid
Storage Conditionroom temperature
Application4-Phenoxybenzylamine inhibits the function of NS3 protein by stabilizing the inactive conformation, and the IC50 value for inhibiting FL NS3/4a is approximately 500 μM.
HTC2922299090
PubChem ID329781356
MDL NumberMFCD01310836
SMILESNCc1ccc(Oc2ccccc2)cc1
InChI1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChI KeyCCAZAGUSBMVSAR-UHFFFAOYSA-N
NACRES CodeNA.21
UNSPSC12352116
MSDSmsds/76258_1_107622_80_0.pdf
Use ofProperties Name 4-Phenoxybenzylamine Synonym More Synonyms 4-Phenoxybenzylamine Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> HCV Research Areas >> Infection 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]. 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 Molecular Formula C13H13NO Exact Mass 199.099716 PSA 35.25000 Index of Refraction 1.595 InChIKey CCAZAGUSBMVSAR-UHFFFAOYSA-N Safety Information Hazard Codes C: Corrosive;Xi: Irritant; HS Code 2922299090 Synthetic Route 4-Phenoxybenzon... CAS#:3096-81-9 4-Phenoxybenzylamine CAS#:107622-80-0 Literature: Fotsch; Sonnenberg; Chen; Hale; Karbon; Norman Journal of Medicinal Chemistry, 2001 , vol. 44, # 14 p. 2344 - 2356 4-Fluorobenzonitrile CAS#:1194-02-1 4-Phenoxybenzylamine CAS#:107622-80-0 Literature: Journal of Medicinal Chemistry, , vol. 44, # 14 p. 2344 - 2356 CAS#:108-95-2 4-Phenoxybenzylamine CAS#:107622-80-0 Literature: Journal of Medicinal Chemistry, , vol. 44, # 14 p. 2344 - 2356 Precursor & DownStream Precursor 7 CAS#:3096-81-9 4-Phenoxybenzon... CAS#:1194-02-1 4-Fluorobenzonitrile CAS#:108-95-2 CAS#:2215-77-2 4-Phenoxybenzoi... DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2922299090. 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%
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