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About This Item
Empirical Formula (Hill Notation):
C19H12O2
CAS Number:
Molecular Weight:
272.30
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-071-1
Beilstein/REAXYS Number:
210494
MDL number:
Quality Level
assay
≥98%
technique(s)
titration: suitable
color
white to yellow
mp
153-157 °C (lit.)
storage temp.
2-8°C
SMILES string
O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4
InChI
1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChI key
VFMMPHCGEFXGIP-UHFFFAOYSA-N
Gene Information
human ... ADORA3(140), CYP1A2(1544), PRKDC(5591)
rat ... Adora1(29290), Adora2a(25369)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Barbara M Zietek et al.
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With early assessment of inhibitory properties of drug candidates and their circulating metabolites toward cytochrome P450 enzymes, drug attrition, especially later in the drug development process, can be decreased. Here we describe the development and validation of an at-line nanofractionation
Min Ji Kim et al.
Environmental health perspectives, 120(4), 508-514 (2012-01-21)
Epidemiological studies emphasize the possible role of persistent organic pollutants (POPs) in obesity and the metabolic syndrome. These pollutants are stored in adipose tissue (AT). Our aim was to study the effects of POPs on human adipose cells and rodent
Iain A Murray et al.
Molecular pharmacology, 79(3), 508-519 (2010-12-04)
We have characterized previously a class of aryl hydrocarbon receptor (AHR) ligand termed selective AHR modulators (SAhRMs). SAhRMs exhibit anti-inflammatory properties, including suppression of cytokine-mediated acute phase genes (e.g., Saa1), through dissociation of non-dioxin-response element (DRE) AHR activity from DRE-dependent