2,6-二甲基喹啉

2,6-二甲基喹啉用途

2,6-Dimethylquinoline 是一种来自Peucedantu praeruptorum 根的天然成分,是 CYP1A2 的抑制剂,IC50 为 3.3 µM。2,6-Dimethylquinoline 也抑制 CYP2B6 的活性,IC50 为 480 µM。

2,6-二甲基喹啉名称

[ CAS 号 ]:
877-43-0

[ 中文名 ]:
2,6-二甲基喹啉

[ 英文名 ]:
2,6-Dimethylquinoline

[中文别名 ]:

[英文别名 ]:

2,6-Dimethylquinoline
Quinoline, 2,6-dimethyl-
MFCD00006762
EINECS 212-891-5

2,6-二甲基喹啉生物活性

[ 描述 ]:

2,6-Dimethylquinoline 是一种来自Peucedantu praeruptorum 根的天然成分,是 CYP1A2 的抑制剂,IC50 为 3.3 µM。2,6-Dimethylquinoline 也抑制 CYP2B6 的活性,IC50 为 480 µM。

[ 相关类别 ]:

信号通路 >> 代谢酶/蛋白酶 >> 细胞色素P450

研究领域 >> 其他

[ 靶点 ]

CYP1A2:3.3 μM (IC50)

CYP2B6:480 μM (IC50)

[参考文献]

[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.

2,6-二甲基喹啉物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
266.5±0.0 °C at 760 mmHg

[ 熔点 ]:
57-59 °C(lit.)

[ 分子式 ]:
C₁₁H₁₁N

[ 分子量 ]:
157.212

[ 闪点 ]:
106.5±11.3 °C

[ 精确质量 ]:
157.089142

[ PSA ]:
12.89000

[ LogP ]:
3.00

[ 外观性状 ]:
白色至淡黄色晶体粉末

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.611

[ 储存条件 ]:
存放于惰性气体之中;避免空气

2,6-二甲基喹啉MSDS

2,6-二甲基喹啉安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S37/39

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ 海关编码 ]:
2933499090

2,6-二甲基喹啉合成路线

2,6-二甲基喹啉上下游产品

2,6-二甲基喹啉上游产品

2,6-二甲基喹啉下游产品

2,6-二甲基喹啉海关

[ 海关编码 ]: 2933499090

[ 中文概述 ]:
2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ 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%

2,6-二甲基喹啉文献

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...

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