ChemicalBook--->CAS DataBase List--->13947-21-2

13947-21-2

13947-21-2 Structure

13947-21-2 Structure
IdentificationBack Directory
[Name]

2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE
[CAS]

13947-21-2
[Synonyms]

2-(chloromethyl)-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
1,2-Benzisothiazol-3(2H)-one, 2-(chloromethyl)-, 1,1-dioxide
[Molecular Formula]

C8H6ClNO3S
[MDL Number]

MFCD00661186
[MOL File]

13947-21-2.mol
[Molecular Weight]

231.66
Chemical PropertiesBack Directory
[Melting point ]

141-143 °C
[Boiling point ]

402.8±47.0 °C(Predicted)
[density ]

1.596±0.06 g/cm3(Predicted)
[pka]

-17.66±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

HLE-IN-1 (Compound 4) is a human leukocyte elastase HLE inhibitor (Ki=1.8 nM). HLE-IN-1 is used in emphysema and inflammamry pulmonary research[1].
[References]

[1] Hlasta, et al. A benzisothiazolone class of potent, selective mechanism-based inhibitors of human leukocyte elastase. Bioorganic & Medicinal Chemistry Letters, 4(15), 1801–1806.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE(13947-21-2)1HNMR
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