CAS 444606-18-2 Dilmapimod (HCID 10297982)

基本情報

CAS: 444606-18-2
標準SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIKey: ORVNHOYNEHYKJG-UHFFFAOYSA-N
分子式: C23H19F3N4O3
平均分子量: 456.4 g/mol
単同位体質量: 456.14092513

概要

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.}

名称と識別子

優先名称: Dilmapimod
IUPAC: 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
現地名: ディルマピモド
英語名: SB-681323
分子式: C23H19F3N4O3
分子量: 456.42

名称と別名

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

名称をさらに表示

ディルマピモド8-(2,6-ジフルオロフェニル)-2-(1,3-ジヒドロキシプロパン-2-イルアミノ)-4-(4-フルオロ-2-メチルフェニル)ピリド[2,3-d]ピリミジン-7-オン8-(2,6-ジフルオロフェニル)-2-[(1,3-ジヒドロキシプロパン-2-イル)アミノ]-4-(4-フルオロ-2-メチルフェニル)-7H,8H-ピリド[2,3-d]ピリミジン-7-オンSB-681323 DilmapimodDilmapimod (SB-681323)Dilmapimod, 10 mM in DMSO

物性

構造計算による物性

XLogP: 3
極性表面積: 98.6 Å²
水素結合供与体数: 3
水素結合受容体数: 9
回転可能結合数: 6
重原子数: 33
形式電荷: 0
複雑度: 702

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

貯蔵温度: -20 °C · Store at -20°C
溶解性: 125 · DMSO:125.0(Max Conc. mg/mL);273.87(Max Conc. mM)
外見: Solid
色: White to light yellow

化学と産業

薬理情報

Mechanism of Action · 1 件

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.