Tìm theo
SCH-503034
Thuốc Gốc
Small Molecule
CTHH: C27H45N5O5
PTK: 519.6767
SCH-503034 is an investigational oral hepatitis C protease inhibitor. SCH-503034 is being evaluated in a large Phase II study in combination with PEG-INTRON(R) (peginterferon alfa-2b) for the treatment of patients chronically infected with hepatitis C virus (HCV) genotype 1 who were nonresponders to peginterferon and ribavirin combination therapy. It is being developed by the Schering-Plough Corporation.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H45N5O5
Phân tử khối
519.6767
Monoisotopic mass
519.342069575
InChI
InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
InChI Key
InChIKey=LHHCSNFAOIFYRV-DOVBMPENSA-N
IUPAC Name
3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide
Traditional IUPAC Name
3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide
SMILES
[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C
Độ hòa tan
2.34e-02 g/l
logP
1.78
logS
-4.3
pKa (strongest acidic)
12.44
pKa (Strongest Basic)
-0.91
PSA
150.7 Å2
Refractivity
138.2 m3·mol-1
Polarizability
56.78 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
MDDR-Like Rule
true
Cơ Chế Tác Dụng : SCH-503034 is an investigational oral hepatitis C protease inhibitor. SCH-503034 is being evaluated in a large Phase II study in combination with PEG-INTRON(R) (peginterferon alfa-2b) for the treatment of patients chronically infected with hepatitis C virus (HCV) genotype 1 who were nonresponders to peginterferon and ribavirin combination therapy. It is being developed by the Schering-Plough Corporation. SCH 503034 is an orally active inhibitor of the hepatitis C virus serine protease that inhibits HCV replication. This mechanism is distinct from those of current therapies, thus SCH 503034 represents a novel class of HCV inhibitor.
Dược Động Học :
▧ Absorption :
Rapidly absorbed following oral administration of capsules (mean Tmax = 1 to 2h across doses), and exhibited dose-related increases in Cmax and AUC.
Độc Tính : In Phase I studies, SCH 503034 was shown to be safe and well tolerated at all dose levels evaluated, with no dose-related increase in the frequency of adverse events. In a monotherapy study, adverse events with SCH 503034 were mild or moderate and similar to placebo. The most frequently reported adverse event was headache.
Chỉ Định : Investigated for use/treatment in hepatitis (viral, C).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05665
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10324367
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=15333889
ChemSpider
http://www.chemspider.com/Chemical-Structure.8499830.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=12311
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