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Basic information
- CAS
123663-49-0- Standard SMILES
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1- InChIKey
ANMATWQYLIFGOK-UHFFFAOYSA-N- Molecular formula
- C17H14N2O6S
- Average molar mass
- 374.374 g/mol
- Monoisotopic mass
- 374.05725717
Names & identifiers
- Preferred name
- Iguratimod
- IUPAC
- N-{7-[(Methanesulfonyl)amino]-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl}formamide
- English name
- Iguratimod
- Molecular formula
- C17H14N2O6S
- Molecular weight
- 374.37
Names & synonyms
N-(7-(MethylsulfonaMido)-4-oxo-6-phenoxy-4H-chroMen-3-yl)forMaMideT 614ALM-3CS-1961IGURATIMODD5-IguratimodIguratimod >iguratimod( R&D)IguratiMod (T 614)Iguratimod (TT-614)
Database identifiers
- CAS
123663-49-0- PubChem CID
- 124246
- DTXSID
DTXSID0048971- ChEMBL
CHEMBL2107455- ChEBI
CHEBI:31689- UNII
- 4IHY34Y2NV
- EC Number
- 808-127-0
- Nikkaji
- J442.708D
Properties
Physicochemical properties
- Melting point
- 238 to · 238.0 to 242.0 °C
- Boiling point
- 580.6 · 580.6±60.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly)
- form
- Solid
- pka
- 5.58 · 5.58±0.20(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
- InChIKey
- ANMATWQYLIFGOK-UHFFFAOYSA-N
- SMILES
- CS(NC1=C(OC2=CC=CC=C2)C=C2C(=C1)OC=C(NC=O)C2=O)(=O)=O
- FDA UNII
- 4 IHY34Y2NV · 4IHY34Y2NV
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 361 · H361
- Precautionary statements
- 501 · P501-P202-P201-P280-P308+P313-P405
- WGK Germany
- 3 · WGK 3
- HS Code
- 2935.9 · 2935.90.9500
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hs_code
- 2935.90.9500
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H361
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Chemistry & industry
Applications
DescriptionIn August 2011, China’s State FDA approved Simcere Pharmaceutical Group’s new drug application for iguratimod (T-614), a disease modifying anti-rheumatic drug (DMARD) for the treatment of rheumatoid arthritis (RA). Preclinical in vivo studies indicated that iguratimod was effective in an established adjuvant-induced arthritis model (ED40=3.6 mg/kg) in rats and also efficacious in a type II collagen-induced arthritis model in DBA/1J mice at 30 mg and 100 mg/kg.
UsesIguratimod acts as an anti-inflammatory agent, used primarily in the treatment of rheumatoid arthritis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
Related reactions
2 records
Compound notes
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