2,6-Dimethylquinoline

Names

[ CAS No. ]:
877-43-0

[ Name ]:
2,6-Dimethylquinoline

[Synonym ]:
2,6-Dimethylquinoline
Quinoline, 2,6-dimethyl-
MFCD00006762
EINECS 212-891-5

Biological Activity

[Description]:

2,6-Dimethylquinoline, a nature constituent from the roots of Peucedantu praeruptorum, is a CYP1A2 inhibitor with an IC50 of 3.3 µM. 2,6-Dimethylquinoline also inhibits CYP2B6 activity with an IC50 of 480 µM[1][2][3].

[Related Catalog]:

Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450

Research Areas >> Others

[Target]

CYP1A2:3.3 μM (IC50)

CYP2B6:480 μM (IC50)

[References]

[1]. Laura E Korhonen, et al. Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. J Med Chem. 2005 Jun 2;48(11):3808-15.

[2]. L E Korhonen, et al. New potent and selective cytochrome P450 2B6 (CYP2B6) inhibitors based on three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis. Br J Pharmacol. 2007 Apr;150(7):932-42.

[3]. Cun Zhang, et al. Studies on chemical constituents from roots of Peucedanum praeruptorum II. Zhongguo Zhong Yao Za Zhi. 2006 Aug;31(16):1333-5.

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
266.5±0.0 °C at 760 mmHg

[ Melting Point ]:
57-59 °C(lit.)

[ Molecular Formula ]:
C₁₁H₁₁N

[ Molecular Weight ]:
157.212

[ Flash Point ]:
106.5±11.3 °C

[ Exact Mass ]:
157.089142

[ PSA ]:
12.89000

[ LogP ]:
3.00

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.611

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2933499090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933499090

[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

J. Med. Chem. 48 , 3808-15, (2005)

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-ac...

Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom.

Environ. Sci. Pollut. Res. Int. 23 , 3399-405, (2016)

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 titratio...

[Studies on chemical constituents from roots of Peucedanum praeruptorum II].

Zhongguo Zhong Yao Za Zhi 31(16) , 1333-5, (2006)

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 spe...