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Iguratimod

CAT: 0013-GTR19168709-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19168709-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Iguratimod (T-614) is a selective COX-2 inhibitor (IC50 = 20 μM) and macrophage migration inhibitory factor (MIF) antagonist (IC50 = 6.81 μM) . This small molecule is a research tool for studying rheumatoid arthritis mechanisms and has demonstrated anti-inflammatory and immunomodulatory effects in both cellular and animal models of disease.
CAS Number
123663-49-0
Product Name Alternative
Iguratimod, MIF, inhibit, Inhibitor, Cyclooxygenase, COX-2, COX, T614, T-614, T 614
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
99.75% (May vary between batches)
Solubility
DMSO:10 mg/mL (26.71 mM)
Smiles
O=C1C=2C (=CC (NS (C) (=O) =O) =C (OC3=CC=CC=C3) C2) OC=C1NC=O
Molecular Formula
C17H14N2O6S
Molecular Weight
374.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Iguratimod

Iguratimod is an organic molecular entity.

CAS Number123663-49-0
PubChem CID124246
IUPAC NameN-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide
Molecular FormulaC17H14N2O6S
Molecular Weight374.4
XLogP1.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity665
SMILES
CS(=O)(=O)NC1=C(C=C2C(=C1)OC=C(C2=O)NC=O)OC3=CC=CC=C3
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
Chemical Structure
2D Structure
2D structure of Iguratimod
CAS: 123663-49-0
CID: 124246
Formula: C17H14N2O6S
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass374.05725734
Monoisotopic Mass374.05725734
Topological Polar Surface Area119 Ų
Heavy Atom Count26
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-I265100-25MGIguratimod

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