Basic information
- CAS
78967-07-4- Standard SMILES
COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1- InChIKey
DJEIHHYCDCTAAH-UHFFFAOYSA-N- Molecular formula
- C19H17NO5
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.11067264
Overview
Mofezolac (TN) is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Mofezolac
- IUPAC
- 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
- English name
- Mofezolac
- Molecular formula
- C19H17NO5
- Molecular weight
- 339.34
Names & synonyms
mofezolac78967-07-4MofezolacoMofezolacumDTXSID1046716RVJ0BV3H3YDTXCID9026716(3,4-bis(4-methoxyphenyl)-5-isoxazolyl)acetic acid3,4-DMPIAAN-22 compound[3,4-bis(4-methoxyphenyl)-5-isoxazolyl]acetic acid(3,4-di-(4-methoxyphenyl)-5-isoxazolyl)acetic acid
Show more names
Mofezolac, 10 mM in DMSO3,4-Bis(4-methoxyphenyl)isoxazole-5-acetic acid3,4-Bis(4-methoxyphenyl)-5-isoxazoleacetic acidα-[3,4-Bis(4-methoxyphenyl)-5-isoxazolyl]acetic acid
RefChem:159308Disopain2-(3,4-bis(4-methoxyphenyl)isoxazol-5-yl)acetic acidMofezolac [INN]N-222-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid5-Isoxazoleacetic acid, 3,4-bis(4-methoxyphenyl)-Mofezolac (TN)
Database identifiers
- CAS
78967-07-4- PubChem CID
- 4237
- DTXSID
DTXSID1046716- ChEMBL
CHEMBL259972
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 147.5 ℃ · 147.5℃
- Boiling point
- 527.2 · 527.2±50.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO: soluble
- form
- A solid
- pka
- 3.3 · pKa ~3.3(at 25℃)
- color
- White to off-white
- FDA UNII
- 0 BV3H3Y · RVJ0BV3H3Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 in · LD50 in male, female mice, male, female rats (mg/kg): 1528, 1740, 920, 887 orally; 275, 321, 378, 342 i.p.; 612, 545, 572, 510 s.c. (Satoh)
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
- Toxicity
- LD50 in male, female mice, male, female rats (mg/kg): 1528, 1740, 920, 887 orally; 275, 321, 378, 342 i.p.; 612, 545, 572, 510 s.c. (Satoh)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds 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
DescriptionMofezolac is a new non-steroidal analgesic antiinflammatory agent introduced in Japan for the treatment of post-operative and post-traumatic pain, acute upper respiratory tract pain, osteoarthritis, and lumbago. In in vfim studies, mofezolac inhibits prostaglandin biosynthesis and platelet aggregation, reportedly through the inhibition of cyclooxygenase. In animal studies, mofezolac showed more potent suppression in various writhing models than agents such as ibuprofen, mefenamic acid and aspirin. Mofezolac also has a potent inhibitory activity on the algesic responses induced by the mechanical stimulus of the inflamed tissue. The ulcerogenic effect of mofezolac on the gastric mucosa is far weaker than that of indomethacin and other agents.
Suppliers40 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司
Related reactions
3 records
Compound notes
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