vapor pressure
1 mmHg ( 108 °C)
grade
puriss.
assay
≥99.0% (GC)
bp
305 °C (lit.)
mp
47-49 °C, 47-51 °C (lit.)
SMILES string
O=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI key
RWCCWEUUXYIKHB-UHFFFAOYSA-N
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signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 3 - Carc. 1B - STOT RE 2 Oral
target_organs
Liver,Kidney
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
280.4 °F - closed cup
flash_point_c
138 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Felipe T Martins et al.
European journal of medicinal chemistry, 44(3), 1230-1239 (2008-11-11)
We have investigated the in vitro inhibition of papain, trypsin, and cathepsins B and G by five benzophenone-type compounds, three natural ones isolated from Garcinia brasiliensis and two synthetic derivatives. The activities of pentaprenylated trihydroxy-substituted benzophenone guttiferone A (1) on
Ute F Röhrig et al.
Journal of medicinal chemistry, 53(3), 1172-1189 (2010-01-09)
Indoleamine 2,3-dioxygenase (IDO) is an important therapeutic target for the treatment of diseases such as cancer that involve pathological immune escape. We have used the evolutionary docking algorithm EADock to design new inhibitors of this enzyme. First, we investigated the
Randy M Wadkins et al.
Journal of medicinal chemistry, 48(8), 2906-2915 (2005-04-15)
Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of selective inhibitors of these proteins has proved problematic. Using Telik's target-related affinity profiling (TRAP)
Ashley A Reinke et al.
Bioorganic & medicinal chemistry letters, 19(17), 4952-4957 (2009-07-31)
Aggregated amyloid-beta (Abeta) peptide is implicated in the pathology of Alzheimer's disease. In vitro and in vivo, these aggregates are found in a variety of morphologies, including globular oligomers and linear fibrils, which possess distinct biological activities. However, known chemical
Markus A Lill et al.
Journal of medicinal chemistry, 48(18), 5666-5674 (2005-09-02)
We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular dynamics simulations, and linear-interaction energy analysis, we simulated the
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