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Antiviral API
- Arenavirus
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Ombitasvir
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| Category | HCV Protease |
| CAS | 1258226-87-7 |
| Description | Ombitasvir, a NS5A inhibitor, could be effective in the treatment of HCV as an antiviral agent. IC50: 14 pM and 5 pM (EC50) for genotype 1a-H77 and 1b-Con1 respectively. |
Product Information
| Synonyms | ABT-267; ABT267; ABT 267; Ombitasvir; Viekira Pak; Ombitasvir(ABT-267); CHEBI:85183 |
| IUPAC Name | methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate |
| Molecular Weight | 894.11 |
| Molecular Formula | C50H67N7O8 |
| Canonical SMILES | CC(C)C(C(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3CCC(N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC |
| InChI | InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-2 |
| InChIKey | PIDFDZJZLOTZTM-KHVQSSSXSA-N |
| Boiling Point | 1065.6±65.0 °C at 760 mmHg |
| Flash Point | 598.2±34.3 °C |
| Purity | 98% |
| Density | 1.2±0.1 g/cm3 |
| Solubility | DMSO: 45 mg/mL |
| Appearance | Powder |
| Application | Ombitasvir is a NS5A inhibitor that could be effective in the treatment of HCV as an antiviral agent. |
| Shelf Life | As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly |
| Storage | -20°C Freeze |
| Complexity | 1540 |
| Exact Mass | 893.50511212 |
| Index Of Refraction | 1.595 |
| In Vitro | Ombitasvir is active against the genotype 2a JFH-1 replicon, with an EC50 of 0.82 pM, and the EC50s of ombitasvir are 42 pM and 68 pM against the L28 and F28 variants of this genotype 6a replicon, respectively. In GT1a, variants M28V, L31V, and H58D confers 58- to 243-fold resistance to Ombitasvir. Single variants M28T, Q30R, and Y93C/S confers 800- to 8965-fold resistance, while Y93H/N confers >40000-fold resistance to Ombitasvir. |
| PSA | 178.72000 |
| Target | EC50: 0.82 to 19.3 pM (HCV genotypes 1 to 5), 366 pM (HCV genotype 6a) |
| Vapor Pressure | 0.0±0.3 mmHg at 25°C |
| XLogP3-AA | 7.9 |
