Dilmapimod

HCID 10297982

기본 정보

CAS: 444606-18-2
표준 SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIKey: ORVNHOYNEHYKJG-UHFFFAOYSA-N
분자식: C23H19F3N4O3
평균 분자량: 456.4 g/mol
단동위원소 질량: 456.14092513

개요

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.}

이름 및 식별자

우선 이름: Dilmapimod
IUPAC: 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
영어명: SB-681323
분자식: C23H19F3N4O3
분자량: 456.42

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 98.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 33
형식 전하: 0
복잡도: 702

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

저장 조건: -20 °C · Store at -20°C
용해도: 125 · DMSO:125.0(Max Conc. mg/mL);273.87(Max Conc. mM)
물리적 상태: Solid
색상: White to light yellow

화학 및 산업

약리 정보

Mechanism of Action · 1건

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.