(±)-trans-Lamivudine , CAS No.131086-22-1

CAS: 131086-22-1 Cat. No.: T1420885 PubChem CID: 6540852

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(±)-trans-Lamivudine is separated from the salt of (S)-(+) mandelic acid. (±)-trans-Lamivudine forms cocrystals with (S)-BINOL. (±)-trans-Lamivudine is promising for research of human immunodeficiency virus infection.

Specifications

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1C(OC(S1)CO)N2C=CC(=NC2=O)N
• IUPAC Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
• InChIKey: JTEGQNOMFQHVDC-BQBZGAKWSA-N
• INCHI: 1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
• Isomeric SMILES: C1[C@H](O[C@@H](S1)CO)N2C=CC(=NC2=O)N
• Alternate CAS: 131086-22-1,136846-20-3
• PubChem CID: 6540852

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Nucleoside and nucleotide analogues
      • Subclass 3'-thia pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Nucleoside and nucleotide analogues
• Subclass: 3'-thia pyrimidine nucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: 3'-thia pyrimidine nucleosides
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Oxathiolanes Monothioacetals Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3'-thia pyrimidine nucleoside - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Monothioacetal - Oxathiolane - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Primary alcohol - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 3'-thia pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-thia derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides.
• 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