H3661
4′-羟基双氯芬酸
≥98% (HPLC)
别名:
2-((2,6-二氯-4-羟基苯基)氨基)苯乙酸, 4′-羟基双氯灭痛
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关于此项目
经验公式（希尔记法）:
C14H11Cl2NO3
化学文摘社编号:
分子量:
312.15
UNSPSC Code:
12161501
NACRES:
NA.47
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4198042
Quality Level
assay
≥98% (HPLC)
packaging
vial of 5 mg
storage temp.
−20°C
SMILES string
OC(=O)Cc1ccccc1Nc2c(Cl)cc(O)cc2Cl
InChI
1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
InChI key
KGVXVPRLBMWZLG-UHFFFAOYSA-N
General description
4′-羟基双氯芬酸是一种重要的醋氯芬酸代谢物，主要存在于大鼠中。它是尿液中的重要氧化代谢物。
双氯芬酸的 CYP2C9 代谢物。
Application
4′-羟基双氯芬酸已被用于考察龙胆苦甙 (GE) 对人细胞色素P450酶的体外作用。它还被用作酶标记物，用于研究其在不同体外肝脏模型中的代谢活性。
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
In vitro inhibition and induction of human liver cytochrome P450 enzymes by gentiopicroside: potent effect on CYP2A6
Deng Y, et al.
Drug Metabolism and Pharmacokinetics (2013)
Metabolism of Drugs and Other Xenobiotics (2012)
Metabolic profiling of human long-term liver models and hepatic clearance predictions from in vitro data using nonlinear mixed-effects modeling
Kratochwil NA, et al.
The AAPS Journal, 19(2), 534-550 (2017)
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| H3661-1VL | 04061833793794 |