firocoxib (CHEBI:76136)

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CHEBI:76136 - firocoxib

ChEBI ID	CHEBI:76136
ChEBI Name	firocoxib
Stars
Definition	An enol ether that is the cyclopropylmethyl ether of 3-hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2-one. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in horses and dogs.
Last Modified	3 December 2013
Submitter	Steve
Downloads	Molfile

Formula	C17H20O5S
Net Charge	0
Average Mass	336.409
Monoisotopic Mass	336.10314
SMILES	CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1
InChI	InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKey	FULAPETWGIGNMT-UHFFFAOYSA-N

Wikipedia

Roles Classification

Biological Roles:

cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.

non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.

Applications:

non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs 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.

ChEBI Ontology

Outgoing Relation(s)
	firocoxib (CHEBI:76136) has role antineoplastic agent (CHEBI:35610)
	firocoxib (CHEBI:76136) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
	firocoxib (CHEBI:76136) has role non-narcotic analgesic (CHEBI:35481)
	firocoxib (CHEBI:76136) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
	firocoxib (CHEBI:76136) is a butenolide (CHEBI:50523)
	firocoxib (CHEBI:76136) is a cyclopropanes (CHEBI:51454)
	firocoxib (CHEBI:76136) is a enol ether (CHEBI:47985)
	firocoxib (CHEBI:76136) is a sulfone (CHEBI:35850)

IUPAC Name
3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-one

INNs	Source
firocoxib	KEGG DRUG
firocoxib	WHO MedNet
firocoxibum	WHO MedNet
firocoxib	WHO MedNet

Synonym	Source
3-(Cyclopropylmethoxy)-4-(4-methylsulfonylphenyl)-5,5-dimethylfuranone	ChemIDplus

Brand Name	Source
Equioxx	ChemIDplus

Manual Xrefs	Databases
D03712	KEGG DRUG
C18363	KEGG COMPOUND
WO2007041499	Patent
Firocoxib	Wikipedia
WO2011104161	Patent
US2011118243	Patent
1774	VSDB

Registry Numbers	Sources
Reaxys:8335837	Reaxys
CAS:189954-96-9	KEGG COMPOUND
CAS:189954-96-9	ChemIDplus

Citations