Sofosbuvir impurity G , CAS No.1337482-15-1

CAS: 1337482-15-1 Cat. No.: S647272 Molecular Weight: 529.45 PubChem CID: 58463528

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Sofosbuvir impurity G, an diastereoisomer of Sofosbuvir, is the impurity of Sofosbuvir. Sofosbuvir (PSI-7977) is an inhibitor of HCV RNA replication, demonstrates potent anti-hepatitis C virus activity.

Form:Solid

Specifications

Biochemical and Physiological Mechanisms

Sofosbuvir impurity G, an diastereoisomer of Sofosbuvir, is the impurity of Sofosbuvir. Sofosbuvir (PSI-7977) is an inhibitor of HCV RNA replication, demonstrates potent anti-hepatitis C virus activity.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)OC(=O)C(C)NP(=O)(OC1C(OC(C1(C)F)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3
• IUPAC Name: propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate
• InChIKey: IBMLPFZASPUMOW-IAAJYNJHSA-N
• INCHI: 1S/C22H29FN3O9P/c1-13(2)32-19(29)14(3)25-36(31,34-15-8-6-5-7-9-15)35-18-16(12-27)33-20(22(18,4)23)26-11-10-17(28)24-21(26)30/h5-11,13-14,16,18,20,27H,12H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16+,18+,20+,22+,36?/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(O[C@@H]1[C@H](O[C@H]([C@]1(C)F)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3
• PubChem CID: 58463528
• Molecular Weight: 529.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Alanine and derivatives Phenoxy compounds Phosphoric diester monoamides Pyrimidones Hydropyrimidines Organic phosphoramides Oxolanes Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Ureas Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Phenoxy compound - Phosphoric diester monoamide - Pyrimidone - Phosphoric acid ester - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Organic phosphoric acid amide - Organic phosphoric acid derivative - Hydropyrimidine - Vinylogous amide - Oxolane - Heteroaromatic compound - Carboxylic acid ester - Lactam - Urea - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organofluoride - Alkyl halide - Organohalogen compound - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (188.88 mM; Need ultrasonic)