Basic information
- CAS
80937-31-1- Standard SMILES
CS(=O)(=O)Nc1cc2c(cc1Oc1ccc(F)cc1F)C(=O)CC2- InChIKey
CXJONBHNIJFARE-UHFFFAOYSA-N- Molecular formula
- C16H13F2NO4S
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 353.05333534
Overview
Flosulide is a small molecule drug. Flosulide has a monoisotopic molecular weight of 353.05 Da.
Names & identifiers
- Preferred name
- Flosulide
- IUPAC
- N-[6-(2,4-difluorophenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
- English name
- Flosulide
- Molecular formula
- C16H13F2NO4S
- Molecular weight
- 353.344
Names & synonyms
Flosulide80937-31-1FlosulidaCGP-28238FlosulidumCgp 28238GVR41S4ZHJDTXSID202308076-(2,4-difluorophenoxy)-5-methylsulfonylamino-1-indanoneRefChem:140777DTXCID10153298Flosulide [INN]
Show more names
ZK-38997CGP-28328N-[1-Oxo-6-(2,4-difluorophenoxy)indan-5-yl]methanesulfonamideN-[[6-(2,4-Difluorophenoxy)-2,3-dihydro-1-oxo-1H-inden]-5-yl]methanesulfonamideMethanesulfonamide, N-[6-(2,4-difluorophenoxy)-2,3-dihydro-1-oxo-1H-inden-5-yl]-
N-[6-(2,4-difluorophenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamideCHEMBL147580n-[6-(2,4-difluorophenoxy)-1-oxo-2,3-dihydro-1h-inden-5-yl]methanesulfonamideN-(6-(2,4-Difluorophenoxy)-1-oxo-5-indanyl)methanesulfonamideZK 38997;CGP 28238Flosulidum [INN-Latin]Flosulida [INN-Spanish]N-(6-(2,4-Difluorophenoxy)-1-oxo-2,3-dihydro-1H-inden-5-yl)methanesulfonamide
Database identifiers
- CAS
80937-31-1- PubChem CID
- 71246
- DTXSID
DTXSID20230807
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Melting point
- 156 °C · 156 °C(Solv: ethanol (64-17-5))
- Boiling point
- 446.9 · 446.9±55.0 °C(Predicted)
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 6.95 · 6.95±0.20(Predicted)
- FDA UNII
- 41 S4ZHJ · GVR41S4ZHJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Applications
UsesFlosulide is a potent and selective COX-2 inhibitor, used for the treatment for inflammatory diseases.
Suppliers8 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）
Related reactions
4 records
Compound notes
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