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2-CHLORO-3-PYRIDYL 4-CHLOROBENZENE-1-SULFONATE - CAS 219930-49-1

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Category
Main Product
Product Name
2-CHLORO-3-PYRIDYL 4-CHLOROBENZENE-1-SULFONATE
Catalog Number
219930-49-1
Synonyms
4-CHLORO-BENZENESULFONIC ACID 2-CHLORO-PYRIDIN-3-YL ESTER;2-CHLORO-3-PYRIDYL 4-CHLOROBENZENE-1-SULFONATE
CAS Number
219930-49-1
Molecular Weight
304.15
Molecular Formula
C11H7Cl2NO3S
COA
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MSDS
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Canonical SMILES
C1=CC(=C(N=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H7Cl2NO3S/c12-8-3-5-9(6-4-8)18(15,16)17-10-2-1-7-14-11(10)13/h1-7H
InChIKey
PRQKIXNGZJYLGO-UHFFFAOYSA-N
Structure
CAS 219930-49-1 2-CHLORO-3-PYRIDYL 4-CHLOROBENZENE-1-SULFONATE
Specification
Purity
95%
Reference Reading
1.Inhibitors of the tissue factor/factor VIIa-induced coagulation: synthesis and in vitro evaluation of novel specific 2-aryl substituted 4H-3,1-benzoxazin-4-ones.
Jakobsen P1, Pedersen BR, Persson E. Bioorg Med Chem. 2000 Aug;8(8):2095-103.
The synthesis of a series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-ones and their evaluation as specific inhibitors of the Tissue Factor (TF)/Factor VIIa (FVIIa)-induced pathway of coagulation is reported. Inhibitory activities (IC50 values) in the range 0.17 to > 40 microM on the activation of Factor X (FX) by the TF/FVIIa complex were found for compounds having one or two electronegative substituents such as F, Cl and NO2 in the 2-aryl substituent. Different substitutions both electron-attracting and donating groups were allowed in the 5, 6, 7 and 8 positions. Several of the compounds showed a selectivity ratio towards FX and thrombin of > 50, thus being the first small molecules described as potential drugs for oral antithrombotic treatment without side effects such as bleeding which is observed especially with thrombin inhibitors. The best substituent pattern being the 2-aryl group substituted with: 2-F; 2,6-F2; or 2-FX; 6-Cl; together with electronegative substitution in the 5, 6, 7, or 8 positions.
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