CAS 1391052-30-4

rel-(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl-2-13C-1,3-15N2)-1,3-oxathiolane-2-carboxylic acid

Description:

The chemical substance known as rel-(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl-2-13C-1,3-15N2)-1,3-oxathiolane-2-carboxylic acid, with the CAS number 1391052-30-4, is a complex organic compound characterized by its unique structural features. It contains a pyrimidine ring, which is a six-membered aromatic ring with nitrogen atoms, contributing to its biological activity. The presence of an oxathiolane ring indicates a five-membered ring containing sulfur and oxygen, which can influence its reactivity and interaction with biological targets. The compound also features amino and carboxylic acid functional groups, which are essential for its solubility and potential interactions in biological systems. The isotopic labeling with carbon-13 and nitrogen-15 suggests its use in research applications, particularly in studies involving metabolic pathways or drug development. Overall, this compound's intricate structure and functional groups may confer specific pharmacological properties, making it of interest in medicinal chemistry and biochemistry.

Formula: C₈H₉N₃O₄S

InChI: InChI=1/C8H9N3O4S/c9-4-1-2-11(8(14)10-4)5-3-16-7(15-5)6(12)13/h1-2,5,7H,3H2,(H,12,13)(H2,9,10,14)/t5-,7+/s2/i8+1,10+1,11+1

InChI key: InChIKey=PIIRVEZNDVLYQA-CGXPYDNWNA-N

SMILES: O=[13C]1[15N]([C@H]2O[C@@H](C(O)=O)SC2)C=CC(N)=[15N]1

Synonyms:

• 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl-2-13C-1,3-15N2)-, (2R,5S)-rel-
• rel-(2R,5S)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl-2-13C-1,3-15N2)-1,3-oxathiolane-2-carboxylic acid

Lamivudine 13C,15N2

CAS: 1391052-30-4

Lamivudine 13C,15N2, a BCH-189 impurity, blocks HIV/HBV reverse transcriptase as an NRTI.

Formula: C₈H₉N₃O₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 246.22

Ref: TM-T11814

rac Lamivudine Acid-13C,15N2

Controlled Product

CAS: 1391052-30-4

Applications A labelled impurity of the anti-viral Lamivudine (L172500).
References Dwyer, O.: Synlett, 11, 1163 (1995);

Formula: CC₇H₉₁₅N₂NO₄S

Color and Shape: Neat

Molecular weight: 246.219

Ref: TR-L172527

Lamivudine Acid-13C,15N2

Controlled Product

CAS: 1391052-30-4

Applications Labelled Lamivudine Acid (L172490). Lamivudine Acid is an impurity of Lamivudine (L172500). Labelled Impurity A per European Pharmacopoeia.
References Dwyer, O., et al.: Synlett, 11, 1163 (1995),

Formula: C₇CH₉NN₂O₄S

Color and Shape: Neat

Molecular weight: 246.219

Ref: TR-L172492