기본 정보
- CAS
198821-22-6- 표준 SMILES
COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1- InChIKey
JBPUGFODGPKTDW-SFHVURJKSA-N- 분자식
- C23H24N4O6
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.16958449
개요
Merimepodib (VX-497) is a novel noncompetitive inhibitor of IMPDH. Merimepodib is orally bioavailable and inhibits the proliferation of primary human, mouse, rat, and dog lymphocytes at concentrations of approximately 100 nM.
이름 및 식별자
- 우선 이름
- Merimepodib
- IUPAC
- [(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
- 현지명
- 메리메포딕,VI-21497,VX-497
- 영어명
- MeriMepodib, VI-21497, VX-497
- 분자식
- C23H24N4O6
- 분자량
- 452.46
이름 및 동의어
Merimepodib198821-22-6VX-497MMPD2ZL2BA06FUVI-21497VI-21,497DTXSID70173639Carbamic acid, ((3-((((3-methoxy-4-(5-oxazolyl)phenyl)amino)carbonyl)amino)phenyl)methyl)-, (3S)-tetrahydro-3-furanyl ester(3S)-oxolan-3-yl N-{[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]methyl}carbamate(3S)-oxolan-3-yl N-((3-(((3-methoxy-4-(1,3-oxazol-5-yl)phenyl)carbamoyl)amino)phenyl)methyl)carbamatecarbamic acid, [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester
이름 더 보기
메리메포딕,VI-21497,VX-497VI 21497Merimepodib (VX-497)Merimepodib (VI-21497Merimepodib, 10 mM in DMSOMeriMepodib, VI-21497, VX-497VX497VX 497MMPVI21497VI 21497HCV,Inhibitor,Merimepodib,HBV,Hepatitis C virus,Hepatitis B virus,VX497,VX 497,inhibit,MMPD[[3-[[[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]carbamic acid (3S)-tetrahydro-3-furanyl ester
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 652
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.6
물리화학적 성질
- 끓는 점
- 571.4 · 571.4±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 45.2 mg/mL · ≥45.2 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.66 · 11.66±0.46(Predicted)
- 색상
- Off-white to light yellow
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
Pharmacodynamics
Merimepodib, an oral drug, contains a novel inhibitor of inosine monophosphate dehydrogenase (IMPDH), an enzyme responsible for stimulating the production of lymphocytes. Merimepodib has the potential to exert direct antiviral activity, as well as affect the immune response by acting on lymphocyte migration and proliferation. Consequently, merimepodib may be an effective treatment for hepatitis C virus (HCV) infection, as the disease involves both viral proliferation and liver inflammation.
Mechanism of ActionMerimepodib is a orally active inhibitor of inosine monophospate dehydrogenase (IMPDH). IMPDH inhibition leads to a reduction in intracellular guanosine triphosphate (GTP), a molecule required for DNA and RNA synthesis.
응용 분야
개요Merimepodib is an inhibitor of inosine-5''-monophosphate dehydrogenase (IMPDH; Kis = 7 and 10 nM for IMPDH type I and type II, respectively) with antiviral and immunosuppressant activities. It reduces Ebola, Lassa, chikungunya, Junin, and Zika virus titers in vitro and inhibits Zika virus replication in Huh7 cells (EC50 = 0.6 μM). Merimepodib inhibits the proliferation of PHA-stimulated T cells and SPAS-stimulated B cells (IC50s = 104 and 132 nM, respectively), effects that can be reversed by guanosine but not adenosine . In vivo, merimepodib (50 and 100 mg/kg) increases allograft survival in a murine skin transplantation model and prevents development of graft versus host disease (GVHD) in splenocyte allografted mice.
용도Inhibition of inosine monophosphate dehydrogenase (IMPDH), which has potential antiviral, antiproliferative, antiparasitic, and immunosuppressive activity.
공급사69 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
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