Dilmapimod tosylateProduct ingredient for Dilmapimod
- Name
- Dilmapimod tosylate
- Drug Entry
- Dilmapimod
Dilmapimod has been used in trials studying the treatment and diagnostic of Nerve Trauma, Inflammation, Pain, Neuropathic, Arthritis, Rheumatoid, and Coronary Heart Disease, among others. Dilmapimod (SB-681323) is a p38 MAP-kinase inhibitor that has potential uses in inflammatory conditions such as RA (Rheumatoid Arthritis). Previous p38 MAP-kinase inhibitors have been hindered in development by liver toxicity. Methotrexate (common treatment for RA patients) also has potential liver toxicity.}
- Accession Number
- DBSALT002378
- Structure
Structure for Dilmapimod tosylate (DBSALT002378)
- Synonyms
- Dilmapimod tosilate
- External IDs
- SB-681323-T
- UNII
- 7R1193W65J
- CAS Number
- 937169-00-1
- Weight
- Average: 628.62
Monoisotopic: 628.160340268 - Chemical Formula
- C30H27F3N4O6S
- InChI Key
- ONQKJJNSLLVYHF-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H19F3N4O3.C7H8O3S/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29);2-5H,1H3,(H,8,9,10)
- IUPAC Name
- 4-methylbenzene-1-sulfonic acid; 8-(2,6-difluorophenyl)-2-[(1,3-dihydroxypropan-2-yl)amino]-4-(4-fluoro-2-methylphenyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
- SMILES
- CC1=CC=C(C=C1)S(O)(=O)=O.CC1=C(C=CC(F)=C1)C1=NC(NC(CO)CO)=NC2=C1C=CC(=O)N2C1=C(F)C=CC=C1F
- External Links
- ChemSpider
- 17229592
- ChEMBL
- CHEMBL2105674
- Predicted Properties
Property Value Source Water Solubility 0.0118 mg/mL ALOGPS logP 3.03 ALOGPS logP 3.6 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 13.38 Chemaxon pKa (Strongest Basic) 1.74 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 98.58 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 118 m3·mol-1 Chemaxon Polarizability 43.26 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon