Tìm theo
Merimepodib
Các tên gọi khác (1) :
  • MMPD
Thuốc Gốc
Small Molecule
CAS: 198821-22-6
CTHH: C23H24N4O6
PTK: 452.4599
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.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H24N4O6
Phân tử khối
452.4599
Monoisotopic mass
452.16958452
InChI
InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
InChI Key
InChIKey=JBPUGFODGPKTDW-SFHVURJKSA-N
IUPAC Name
(3S)-oxolan-3-yl N-{[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]methyl}carbamate
Traditional IUPAC Name
(3S)-oxolan-3-yl N-{[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]methyl}carbamate
SMILES
COC1=C(C=CC(NC(=O)NC2=CC=CC(CNC(=O)O[C@H]3CCOC3)=C2)=C1)C1=CN=CO1
Độ hòa tan
1.10e-01 g/l
logP
1.94
logS
-3.6
pKa (strongest acidic)
11.22
pKa (Strongest Basic)
0.57
PSA
123.95 Å2
Refractivity
121.39 m3·mol-1
Polarizability
45.46 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : 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.
Cơ Chế Tác Dụng : 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. Merimepodib 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.
Chỉ Định : For the treatment of hepatitis C virus (HCV) infection.
Liều Lượng & Cách Dùng : Tablet - Oral
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04862
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=153241
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10251736
ChemSpider
http://www.chemspider.com/Chemical-Structure.135060.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102249
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