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Merck

479993

Methyl 4-(aminomethyl)benzoate hydrochloride

97%

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Fórmula lineal:
H2NCH2C6H4CO2CH3·HCl
Número CAS:
Peso molecular:
201.65
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
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Quality Level

assay

97%

mp

243 °C (dec.) (lit.)

functional group

amine, ester

SMILES string

Cl.COC(=O)c1ccc(CN)cc1

InChI

1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H

InChI key

GIZCKBSSWNIUMZ-UHFFFAOYSA-N

General description

Methyl 4-(aminomethyl)benzoate hydrochloride is an amino acid ester hydrochloride. Its synthesis by esterification reaction has been reported. It plays a role during the preparation of a novel hepatitis C virus (HCV) helicase inhibitor.

Application

Methyl 4-(aminomethyl)benzoate hydrochloride may be used in the preparation of methyl 4-((3-butyl-3-phenylureido)methyl)benzoate.


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Clase de almacenamiento

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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Sahar Kandil et al.
Bioorganic & medicinal chemistry letters, 19(11), 2935-2937 (2009-05-06)
Herein we report a successful application of a computer-aided design approach to identify a novel HCV helicase inhibitor. A de novo drug design methodology was used to generate an initial set of structures that could potentially bind to a putative
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The incidence of malignant melanoma has dramatically increased in recent years thus requiring the need for improved therapeutic strategies. In our efforts to design selective histone deactylase inhibitors (HDACI), we discovered that the aryl urea 1 is a modestly potent
Xiaolin Ge et al.
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