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Deleobuvir

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Category Hepatitis C Virus (HCV)
CAS 863884-77-9
Description Deleobuvir (BI 207127) is a potent non-nucleoside hepatitis C virus (HCV) NS5B polymerase inhibitor.
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Product Information

Synonyms Deleobuvir|863884-77-9|BI 207127|UNII-58BU988K90|58BU988K90|BI207127|BI-207127|1221574-24-8|(E)-3-(2-(1-(((2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indol-6-yl)carbonyl)amino)cyclobutyl)-1-methyl-1H-benzimidazol-6-yl)-2-propenoic acid|(E)-3-[2-[1-[[[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl]amino]cyclobutyl]-1-methyl-1H-benzimidazol-6-yl]-2-propenoic acid|Deleobuvir [USAN:INN]|SCHEMBL900174|SCHEMBL900176|CHEMBL2403318|DTXSID40235516|DB14850|HY-12634|CS-0012113|Q15708312|(2E)-3-(2-(1-(2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl(-1-methyl-1H-benzimidazol-6-yl)prop-2-enoic acid|(E)-3-(2-(1-(2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl)-1-methyl-1H-benzo[d]imidazol-6-yl)acrylic acid|(E)-3-[2-[1-[[[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl]amino]cyclobutyl]-1-methyl-1H-benzimidazol-6-yl]-2-propenoicacid|(E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid|2-Propenoic acid, 3-(2-(1-(((2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl)carbonyl)amino)cyclobutyl)-1-methyl-1H-benzimidazol-6-yl)-, (2E)-
Molecular Weight 653.57
Molecular Formula C34H33BrN6O3
Canonical SMILES CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C4=NC5=C(N4C)C=C(C=C5)C=CC(=O)O)C(=C1C6=NC=C(C=N6)Br)C7CCCC7
Boiling Point 851.4±65.0 °C at 760 mmHg
Flash Point 468.7±34.3 °C
Purity ≥ 98 %
Density 1.5±0.1 g/cm3
Solubility Soluble in DMSO, not in water
Appearance Solid powder
Storage Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Assay Showing weak or no inhibition in specific assays including poliovirus RdRp, mammalian DdRp II and DNA polymerase α, β and γ.
Complexity 1090
Exact Mass 652.17975
Index Of Refraction 1.736
In Vitro Deleobuvir (BI-207127, BI207127) is a potent selective HCV NS5B polymerase inhibitor with an IC50 of 50 nM for GT-1 HCV polymerase activity; Exhibits subgenomic antiviral activity against GT1b and GT1a with EC50s of 11 and 23 nM.
Target HCV
Vapor Pressure 0.0±0.3 mmHg at 25°C
XLogP3-AA 5.6

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