Dilmapimod

HCID 10297982

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Grundinformationen

CAS: 444606-18-2
Standard-SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIKey: ORVNHOYNEHYKJG-UHFFFAOYSA-N
Summenformel: C23H19F3N4O3
Durchschnittliche Molmasse: 456,4 g/mol
Monoisotopische Masse: 456,14092513

Überblick

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.}

Namen und Bezeichner

Bevorzugter Name: Dilmapimod
IUPAC: 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
Englischer Name: SB-681323
Summenformel: C23H19F3N4O3
Molmasse: 456.42

Namen und Synonyme

Dilmapimod444606-18-2SB-681323Q3238VQW0NSB681323DTXSID1013183388-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-onePYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 8-(2,6-DIFLUOROPHENYL)-4-(4-FLUORO-2-METHYLPHENYL)-2-((2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)AMINO)-dilmapimodum8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido(6,5-d)pyrimidin-7-one8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[6,5-d]pyrimidin-7-one

Weitere Namen anzeigen

SB-681323 DilmapimodDilmapimod (SB-681323)Dilmapimod, 10 mM in DMSOp38 MAPK,inhibit,Dilmapimod,SB681323,SB 681323,GW681323,GW-681323,Autophagy,Inhibitor8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-Pyrido[2,3-d]pyrimidin-7(8H)-one

8-(2,6-DIFLUOROPHENYL)-4-(4-FLUORO-2-METHYLPHENYL)-2-((2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)AMINO)PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONEGW681323RefChem:587981DTXCID4017481508-(2,6-difluorophenyl)-2-((1,3-dihydroxypropan-2-yl)amino)-4-(4-fluoro-2-methylphenyl)-7H,8H-pyrido(2,3-d)pyrimidin-7-one8-(2,6-difluorophenyl)-2-((1,3-dihydroxypropan-2-yl)amino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7(8H)-oneDilmapimod [USAN:INN]GW 681323

Datenbank-Bezeichner

CAS: 444606-18-2
PubChem CID: 10297982
DTXSID: DTXSID101318338
ChEMBL: CHEMBL2103838
UNII: Q3238VQW0N
Nikkaji: J3.498.915J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 98,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 6
Schwere Atome: 33
Formalladung: 0
Komplexität: 702

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

storage temp.: -20 °C · Store at -20°C
Löslichkeit: 125 · DMSO:125.0(Max Conc. mg/mL);273.87(Max Conc. mM)
Aggregatzustand: Solid
Farbe: White to light yellow

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

Dilmapimod reduces the levels of proinflammatory cytokines and chemokines and reduce cellular infiltration to sites of inflammation, thereby reducing local damage. In diseases such as RA and IBD, TNFα blockade through either anti-TNFα antibodies or use of soluble TNFα receptors. Inhibition of p38α offers significant inhibition of TNFα, and cytokines such as IL-1β and IL-6, which offer additional therapeutic efficacy.