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144029

Sigma-Aldrich

2,6-Dimethylquinoline

98%

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About This Item

Formule empirique (notation de Hill):
C11H11N
Numéro CAS:
877-43-0
Poids moléculaire :
157.21
Numéro CE :
212-891-5
Numéro MDL:
MFCD00006762
Code UNSPSC :
12352100
ID de substance PubChem :
24848622
Nomenclature NACRES :
NA.22

Pureté

98%

Forme

solid

Pf

57-59 °C (lit.)

Chaîne SMILES 

Cc1ccc2nc(C)ccc2c1

InChI

1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3

Clé InChI

JJPSZKIOGBRMHK-UHFFFAOYSA-N

Informations sur le gène

human ... CYP1A2(1544)

Application

2,6-Dimethylquinoline was used to study the inhibition potencies (IC50 values) of structurally diverse chemicals with recombinant human CYP2B6 enzyme for in vitro research purposes.

Actions biochimiques/physiologiques

2,6-Dimethylquinoline is the chemical constituent present in roots of Peucedantu praeruptorum. It is a potential inhibitor of cytochrome P450 1A2 activity.

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

Équipement de protection individuelle

dust mask type N95 (US), Eyeshields, Gloves

Certificats d'analyse (COA)

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Cun Zhang et al.
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 31(16), 1333-1335 (2006-10-26)
To isolate and identify the chemical constituents from the roots of Peucedantu praeruptorum. The constituents were isolated by column chromatography on silica gel and ODS, and identified by NMR, MS spectroscopic methods. Eight compounds, (-) sclerodin (1), palmitic acid (2)
L E Korhonen et al.
British journal of pharmacology, 150(7), 932-942 (2007-02-28)
The cytochrome P450 2B6 (CYP2B6) enzyme metabolises a number of clinically important drugs. Drug-drug interactions resulting from inhibition or induction of CYP2B6 activity may cause serious adverse effects. The aims of this study were to construct a three-dimensional structure-activity relationship
Bin Yang et al.
Environmental science and pollution research international, 23(4), 3399-3405 (2015-10-23)
The solubilities of 19 different kinds of N-heteroaromatic compounds in aqueous solutions with different concentrations of NaCl were determined at 298.15 K with a UV-vis spectrophotometry and titration method, respectively. Setschenow constants, Ks, were employed to describe the solubility behavior
Markus Brinkmann et al.
Chemical research in toxicology, 32(4), 698-707 (2019-03-22)
Hydroxylation of polyaromatic compounds through cytochromes P450 (CYPs) is known to result in potentially estrogenic transformation products. Recently, there has been an increasing awareness of the importance of alternative pathways such as aldehyde oxidases (AOX) or N-methyltransferases (NMT) in bioactivation
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the

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