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
Thumb
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
PropertyValueSource
Water Solubility0.0118 mg/mLALOGPS
logP3.03ALOGPS
logP3.6ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)13.38ChemAxon
pKa (Strongest Basic)1.74ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area98.58 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity118 m3·mol-1ChemAxon
Polarizability43.26 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon