Chemical Property of 5-[(4-Carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone
Chemical Property:
- Vapor Pressure:3.48E-13mmHg at 25°C
- Melting Point:181-183 °C
- Boiling Point:555.7ºC at 760 mmHg
- PKA:3.88±0.10(Predicted)
- Flash Point:289.9 ºC
- PSA：115.00000
- Density:1.61 g/cm3
- LogP:4.87440
- Storage Temp.:Store at +4°C
- Solubility.:DMSO: ≥10mg/mL
- XLogP3:4.9
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:3
- Exact Mass:409.00542001
- Heavy Atom Count:27
- Complexity:657
- Purity/Quality:
-
99%, *data from raw suppliers
CFTRinh 172 *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xi,N
- Hazard Codes:Xi,N
- Statements:
36/37/38-43-50/53
- Safety Statements:
26-36/37-60-61
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F
- Isomeric SMILES:C1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/SC2=S)C(F)(F)F
-
Uses
The cystic fibrosis (CF) gene encodes a cAMP-regulated chloride channel, the CF transmembrane conductance regulator (CFTR). CFTR Inhibitor-172 is a thiazolidinone that selectively blocks the CFTR channel (Ki = 300 nM) in a voltage-independent manner. It appears to directly modulate the gating of chloride at the channel and does not prevent elevation of cAMP or inhibit other pumps or channels. In mice, CFTR inhibitor-172 prevents cholera toxin-induced fluid secretion in the small intestine, when given by intraperitoneal injection. It slows cyst growth in animal models of polycystic kidney disease. As CFTR also modulates glutathione (GSH) efflux, CFTR inhibitor-172 can affect intracellular GSH concentration and reactive oxygen species balance. CFTR(inh)-172 has been used to specifically inhibit cystic fibrosis transmembrane conductance regulator (CFTR) activity. It is also used as a CFTR inhibitor Inh-172 to treat forskolin and IBMX.
