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416835

Sigma-Aldrich

4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride

technical grade

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About This Item

Empirical Formula (Hill Notation):
C11H13N · HCl
CAS Number:
43064-12-6
Molecular Weight:
195.69
EC Number:
256-071-5
MDL number:
MFCD00012752
UNSPSC Code:
12352100
PubChem Substance ID:
24866077
NACRES:
NA.22

grade

technical grade

form

solid

mp

202-203.5 °C (lit.)

SMILES string

Cl[H].C1CC(=CCN1)c2ccccc2

InChI

1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H

InChI key

POGWXTJNUCZEPR-UHFFFAOYSA-N

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General description

4-Phenyl-1,2,3,6-tetrahydropyridine fragment containing benzamide derivatives have been prepared. Presence of the 4-phenyl-1,2,3,6-tetrahydropyridine fragment improves the inhibitory potential of benzamide analogs against poly(ADP-ribose) polymerase-1 (PARP-1).

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Statements

H301 + H311 + H331,H351

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Carc. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Junya Ishida et al.
Bioorganic & medicinal chemistry letters, 15(19), 4221-4225 (2005-08-16)
We have shown that a 4-phenyl-1,2,3,6-tetrahydropyridine fragment plays an important role in improving inhibitory potency against poly(ADP-ribose) polymerase-1 (PARP-1). Various benzamide analogues linked with this fragment via alkyl spacers have been prepared and evaluated. As a result, some of them
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