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About This Item
Linear Formula:
O2NC6H4SO2Cl
CAS Number:
Molecular Weight:
221.62
Beilstein:
746542
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
form
solid
mp
61-62 °C (lit.)
SMILES string
[O-][N+](=O)c1cccc(c1)S(Cl)(=O)=O
InChI
1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
InChI key
MWWNNNAOGWPTQY-UHFFFAOYSA-N
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Application
3-Nitrobenzenesulfonyl chloride has been used in preparation of:
- acyl-2-aminobenzimidazole analogs
- 6-chloro-2-methyl-3-{1-[(3-nitrophenyl)sulfonyl]-1H-pyrazol-3-yl}imidazo[1,2-a]pyridine
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
>230.0 °F
Flash Point(C)
> 110 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Masahiko Hayakawa et al.
Bioorganic & medicinal chemistry, 15(1), 403-412 (2006-10-20)
3-{1-[(4-Fluorophenyl)sulfonyl]-1H-pyrazol-3-yl}-2-methylimidazo[1,2-a]pyridine, 2a, was discovered in our chemical library as a novel p110alpha inhibitor with an IC(50) of 0.67microM, through screening in a scintillation proximity assay. Optimization of the substituents of 2a increased the p110alpha inhibitory activity by more than 300-fold
Jay P Powers et al.
Bioorganic & medicinal chemistry letters, 16(11), 2842-2845 (2006-03-28)
High-throughput screening of a small-molecule compound library resulted in the identification of a novel series of N-acyl 2-aminobenzimidazoles that are potent inhibitors of interleukin-1 receptor-associated kinase-4.
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