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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Find documentation for the products that you have recently purchased in the Document Library.
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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