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Basic information
- CAS
180200-68-4- Standard SMILES
Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1- InChIKey
MIMJSJSRRDZIPW-UHFFFAOYSA-N- Molecular formula
- C16H19FN2O3S
- Average molar mass
- 338.404 g/mol
- Monoisotopic mass
- 338.11004169
Names & identifiers
- Preferred name
- Tilmacoxib
- IUPAC
- 4-(4-Cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-fluorobenzene-1-sulfonamide
- English name
- 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-fluoro-benzenesulfonamide
- Molecular formula
- C16H19FN2O3S
- Molecular weight
- 338.4
Names & synonyms
TilmacoxibJTE522RWJ57504JTP19605Benzenesulfonamide, 4-(4-cyclohexyl-2-methyl-5-oxazolyl)-2-fluoro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-fluoro-benzenesulfonamide
Database identifiers
- CAS
180200-68-4- PubChem CID
- 159271
- DTXSID
DTXSID0057671- ChEMBL
CHEMBL34913- ChEBI
CHEBI:73041- UNII
- G6VI5P84SX
- Nikkaji
- J906.656J
Properties
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 500.6 · 500.6±60.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.43 · 9.43±0.60(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 6 VI5P84SX · G6VI5P84SX
Chemistry & industry
Applications
UsesTilmacoxib (JTE522) is a highly selective, time-dependent and irreversible human COX-2 inhibitor with an IC50 of 85 nM in an enzyme assay.
Suppliers16 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [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）4008200310 15002144251 · [email protected]
Related reactions
1 records
Compound notes
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