3,4-Dichloroisocoumarin

Base Information

• Chemical Name: 3,4-Dichloroisocoumarin
• CAS No.: 51050-59-0
• Molecular Formula: C9H4 Cl2 O2
• Molecular Weight: 215.0329
• European Community (EC) Number: 637-085-4
• NSC Number: 727363
• UNII: SD08W1HH6E
• DSSTox Substance ID: DTXSID70199056
• Nikkaji Number: J425.303E
• Wikidata: Q27095241
• Pharos Ligand ID: WFN5HCNP4LDP
• Metabolomics Workbench ID: 148905
• ChEMBL ID: CHEMBL24983
• Mol file: 51050-59-0.mol

Synonyms:3,4-DCL;3,4-dichloroisocoumarin

Chemical Property of 3,4-Dichloroisocoumarin

Chemical Property:

• Vapor Pressure: 0.000858mmHg at 25°C
• Boiling Point: 304.7 °C at 760 mmHg
• Flash Point: 136.6 °C
• PSA: 30.21000
• Density: 1.53 g/cm³
• LogP: 3.09980
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMF or DMSO at a concentration of 10mM
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 213.9588348
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Dichloroisocoumarin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl
• Description: 3,4-Dichloroisocoumarin (3,4-DCI) is a serine protease inhibitor. It completely inhibits enzyme activity of 24 serine proteases including human leukocyte elastase, thrombin, plasmin, Factor Xa, and Factor XIIa in vitro. 3,4-DCI stimulates caseinolytic activity of bovine pituitary multicatalytic proteinase complex (MPC) by inducing a conformational change in the MPC that exposes the caseinolytic active site. It has been used to functionally characterize the catalytic activities of multiple proteases including rat liver MPC and extracellular lipase.
• Uses: Useful in a rapid staining method for identification of macrophages; counts by this method were confirmed by the more complex morphological criteria, by phagocytosis, and by the presence of Fc receptors. Useful in a rapid staining method for identification of macrophages; counts by this method were confirmed by the more complex morphological criteria, by phagocytosis, and by the presence of Fc receptors. It is an inhibitor of Chymotrypsin and Trypsin. ,4 Dichloroisocoumarin also inhibits granzymes A, B, and H, cathepsin G, neutrophil elastase, proteinase and blocks apoptotic internucleosomal DNA cleavage in thymocytes without the involvement of endonucleases.