2,6-Dimethylquinoline

Modify Date: 2024-01-04 14:59:44

2,6-Dimethylquinoline structure	Common Name	2,6-Dimethylquinoline
	CAS Number	877-43-0	Molecular Weight	157.212
	Density	1.1±0.1 g/cm3	Boiling Point	266.5±0.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₁₁N	Melting Point	57-59 °C(lit.)
	MSDS	USA	Flash Point	106.5±11.3 °C
	Symbol	GHS07	Signal Word	Warning

Use of 2,6-Dimethylquinoline

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].

Name	2,6-Dimethylquinoline
Synonym	More Synonyms

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.

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

2,6-Dimethylquinoline MSDS(Chinese)

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

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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%

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...

2,6-Dimethylquinoline

Quinoline, 2,6-dimethyl-

MFCD00006762

EINECS 212-891-5