128937
N-Benzylaniline
99%
Synonym(s):
N-Phenylbenzylamine
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About This Item
Linear Formula:
C6H5CH2NHC6H5
CAS Number:
Molecular Weight:
183.25
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
203-100-4
MDL number:
InChI key
GTWJETSWSUWSEJ-UHFFFAOYSA-N
InChI
1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
SMILES string
C(Nc1ccccc1)c2ccccc2
assay
99%
bp
306-307 °C (lit.)
mp
35-38 °C (lit.)
density
1.061 g/mL at 25 °C (lit.)
Application
N-benzylaniline was used as a potent inhibitor of lignostilbene-α,β-dioxygenase.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Sun-Young Han et al.
Journal of enzyme inhibition and medicinal chemistry, 18(3), 279-283 (2003-09-26)
Lignostilbene-alpha,beta-dioxygenase (LSD, EC 1.13.11.43) is involved in oxidative cleavage of the central double bond of lignostilbene to form the corresponding aldehydes by a mechanism similar to those of 9-cis-epoxycarotenoid dioxygenase and beta-carotene 15,15'-dioxygenase, key enzymes in abscisic acid biosynthesis and
Masaharu Uno et al.
Organic & biomolecular chemistry, 6(6), 979-981 (2008-03-11)
N-Benzylanilines were designed and synthesized as vascular endothelial growth factor (VEGF)-2 inhibitors using de novo drug design systems based on the X-ray structure of VEGFR-2 kinase domain. Among compounds synthesized, compound showed the most potent inhibitory activity toward VEGFR-2 (KDR)
Identification of a new metabolite after incubation of N-benzylaniline with rabbit liver microsomes.
H M Ali et al.
Journal of chromatography, 202(2), 287-293 (1980-12-19)
J W Gorrod et al.
Xenobiotica; the fate of foreign compounds in biological systems, 15(12), 1021-1031 (1985-12-01)
Using direct specific analytical techniques microsomal metabolism of N-benzyl-4-substituted anilines has been investigated and found to include both N- and C-oxidation. N-Debenzylation was observed with all substrates and species examined. N-Oxidation usually yielded aryl nitrones, although the N-hydroxy derivative of
Weiqiang Zhan et al.
Journal of medicinal chemistry, 50(23), 5655-5664 (2007-10-26)
In light of a proposed molecular mechanism for the C-X-C chemokine receptor type 4 (CXCR4) antagonist 1 (AMD3100), a template with the general structure 2 was designed, and 15 was identified as a lead by means of an affinity binding
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