CAS 877-43-0|2,6-Dimethylquinoline
| 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 |
Names
| Name | 2,6-Dimethylquinoline |
|---|---|
| Synonym | More Synonyms |
2,6-Dimethylquinoline BiologicalActivity
| 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 P450Research 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 |
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 |
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% |
Articles4
More 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... |
Synonyms
| 2,6-Dimethylquinoline |
| Quinoline, 2,6-dimethyl- |
| MFCD00006762 |
| EINECS 212-891-5 |
