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About This Item
Empirical Formula (Hill Notation):
C7H6N2O3S
CAS Number:
Molecular Weight:
198.20
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
assay
98%
mp
116-119 °C (lit.)
SMILES string
OS(=O)(=O)c1nc2ccccc2[nH]1
InChI
1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)
InChI key
GWXQTTKUYBEZBP-UHFFFAOYSA-N
General description
1H-Benzimidazole-2-sulfonic acid (BISA) is a glutamate racemase (GR) inhibitor. It is a promising candidate for developing antibacterial drugs. BISA can be prepared by the oxidation of 1H-benzimidazole-2-thiol using hydrogen peroxide in the presence of potassium hydroxide.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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In silico Optimization of a Fragment-Based Hit Yields Biologically Active, High-Efficiency Inhibitors for Glutamate Racemase.
Whalen KL, et al.
ChemMedChem, 8(10), 1681-1689 (2013)
Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations.
Whalen KL, et al.
Journal of Chemical Information and Modeling, 53(9), 2349-2359 (2013)
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