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2,6-Dimethylquinoline structure, CAS 877-43-0

2,6-Dimethylquinoline

CAS Number877-43-0

Synonyms2,6-Dimethylquinoline; MFCD00006762; EINECS 212-891-5

Molecular FormulaC11H11N

Molecular Weight191.66

Purity98%

Density1.1±0.1 g/cm3

Boiling Point266.5±0.0 °C at 760 mmHg

Melting Point57-59 °C(lit.)

Flash Point

Appearancesolid

EINECS

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Cat. No.: 2A-9002150 Purity: 98%
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Quality Control of [ 877-43-0 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number877-43-0
Catalog No.2A-9002150
Chinese Name2,6-二甲基喹啉
Synonyms2,6-Dimethylquinoline; MFCD00006762; EINECS 212-891-5
Molecular FormulaC11H11N
Molecular Weight191.66
Purity98
Density1.1±0.1 g/cm3
Boiling Point266.5±0.0 °C at 760 mmHg
Melting Point57-59 °C(lit.)
Appearancesolid
Storage ConditionKeep container sealed and stored in a cool, dry pl
Application2,6-Dimethylquinoline, a natural component from Peucedantu praeruptorum roots, is an inhibitor of CYP1A2 with an IC50 of 3.3 µM. 2,6-Dimethylquinoline also inhibits CYP2B6 activity with an IC50 of 480
HTC2933499090
PubChem ID329773351
MDL NumberMFCD00272394
SMILESCc1ccc2nc(C)cc(Cl)c2c1
InChI1S/C11H10ClN/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-6H,1-2H3
InChI KeyUSUAZNLPQSKHJH-UHFFFAOYSA-N
NACRES CodeNA.21
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/2150_1_877_43_0.pdf
Bioactivity2,6-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 InChIKey JJPSZKIOGBRMHK-UHFFFAOYSA-N SMILES Cc1ccc2nc(C)ccc2c1
Use of2,6-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]. Properties Name 2,6-Dimethylquinoline Synonym More Synonyms 2,6-Dimethylquinoline 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 CYP1A2:3.3 μM (IC50) CYP2B6:480 μM (IC50) References [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 Molecular Formula C11H11N Exact Mass 157.089142 PSA 12.89000 Index of Refraction 1.611 InChIKey JJPSZKIOGBRMHK-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available
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