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About This Item
CAS Number:
NACRES:
NA.26
PubChem Substance ID:
UNSPSC Code:
12352202
MDL number:
Quality level:
InChI
1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
SMILES string
Cl.NC(=N)c1ccccc1
InChI key
LZCZIHQBSCVGRD-UHFFFAOYSA-N
storage temp.
2-8°C
Quality Level
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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Ryan Walsh et al.
Integrative biology : quantitative biosciences from nano to macro, 3(12), 1197-1201 (2011-11-01)
Enzyme inhibitors are usually classified as competitive, non-competitive or mixed non-competitive. Each of these designations has a serious limitation in that it only describes an extreme of inhibitory behaviour. The non-competitive inhibition equation only considers an approach to complete inhibition
Dian Jiao et al.
Journal of computational chemistry, 30(11), 1701-1711 (2009-04-29)
We have calculated the binding free energies of a series of benzamidine-like inhibitors to trypsin with a polarizable force field using both explicit and implicit solvent approaches. Free energy perturbation has been performed for the ligands in bulk water and
Joseph Vamecq et al.
European journal of medicinal chemistry, 45(7), 3101-3110 (2010-04-30)
Five bis-benzamidines were screened towards murine magnesium deficiency-dependent audiogenic seizures, unravelling two compounds with efficacious doses 50 (ED(50)) less than 10mg/kg. They were also screened against maximal electroshock and subcutaneous pentylenetetrazole-induced seizures, and explored for superoxide -scavenging activity. 1,2-Ethane bis-1-amino-4-benzamidine
Amy Capes et al.
Bioorganic & medicinal chemistry, 20(4), 1607-1615 (2012-01-24)
Quinols have been developed as a class of potential anti-cancer compounds. They are thought to act as double Michael acceptors, forming two covalent bonds to their target protein(s). Quinols have also been shown to have activity against the parasite Trypanosoma
Janet Newman et al.
Journal of computer-aided molecular design, 26(5), 497-503 (2011-12-22)
Part of the latest SAMPL challenge was to predict how a small fragment library of 500 commercially available compounds would bind to a protein target. In order to assess the modellers' work, a reasonably comprehensive set of data was collected
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