![(R)-6-Cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one structure, CAS 877130-28-4](/structures/60000/58713_1_877130_28_4.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 877130-28-4 |
| Catalog No. | 2A-9058713 |
| Chinese Name | (R)-6-环戊基-6-[2-(2,6-二乙基吡啶-4-基)乙基]-3-[(5,7-二甲基-[1,2,4]三唑并[1,5-a]嘧啶-2-基)甲基]-4-羟基-5,6-二氢-2H-吡喃-2-酮 |
| Synonyms | Filibuvir; 3frz |
| Molecular Formula | C29H37N5O3 |
| Molecular Weight | 503.64 |
| Purity | 98.00 |
| Density | 1.29g/cm3 |
| Appearance | white to beige |
| Water Solubility | DMSO: soluble10mg/mL, clear |
| Storage Condition | room temp |
| Application | Filibuvir is a potent and selective non-nucleoside inhibitor (NNI) of HCV nonstructural 5B protein (NS5B) RNA-dependent RNA polymerase that binds non-covalently in the "Thumb 2" pocket of NS5B. In vit |
| MDL Number | C29H37N5O3 |
| SMILES | CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1 |
| InChI Key | SLVAPEZTBDBAPI-GDLZYMKVSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/58713_1_877130_28_4.pdf |
| Bioactivity | Filibuvir is a potent, selective non-nucleoside inhibitor (NNI) of the HCV nonstructural 5B protein (NS5B) RNA-dependent RNA polymerase, and it binds noncovalently in the "Thumb 2" pocket of NS5B. In vitro, filibuvir is equipotent against genotype 1a and 1b replicons, with an EC50 of 59 nM[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> HCV Protease References [1]. Wagner F, et al. Antiviral activity of the hepatitis C virus polymerase inhibitor filibuvir in genotype 1-infected patients. Hepatology. 2011 Jul;54(1):50-9. Chemical & Physical Properties Density 1.29g/cm3 Molecular Formula C29H37N5O3 Molecular Weight 503.63600 Exact Mass 503.29000 PSA 102.50000 LogP 5.12420 Appearance of Characters white to beige InChIKey SLVAPEZTBDBAPI-GDLZYMKVSA-N SMILES CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1 Storage condition room temp Water Solubility DMSO: soluble10mg/mL, clear |
| Use of | Filibuvir is a potent, selective non-nucleoside inhibitor (NNI) of the HCV nonstructural 5B protein (NS5B) RNA-dependent RNA polymerase, and it binds noncovalently in the "Thumb 2" pocket of NS5B. In vitro, filibuvir is equipotent against genotype 1a and 1b replicons, with an EC50 of 59 nM[1]. Properties Name (2R)-2-cyclopentyl-2-[2-(2,6-diethylpyridin-4-yl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one Synonym More Synonyms Filibuvir Biological Activity Description Filibuvir is a potent, selective non-nucleoside inhibitor (NNI) of the HCV nonstructural 5B protein (NS5B) RNA-dependent RNA polymerase, and it binds noncovalently in the "Thumb 2" pocket of NS5B. In vitro, filibuvir is equipotent against genotype 1a and 1b replicons, with an EC50 of 59 nM[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> HCV Protease References [1]. Wagner F, et al. Antiviral activity of the hepatitis C virus polymerase inhibitor filibuvir in genotype 1-infected patients. Hepatology. 2011 Jul;54(1):50-9. Chemical & Physical Properties Molecular Formula C29H37N5O3 Exact Mass 503.29000 PSA 102.50000 LogP 5.12420 Appearance of Characters white to beige InChIKey SLVAPEZTBDBAPI-GDLZYMKVSA-N Storage condition room temp |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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