CAS 17331-53-2: Thymidine, 3′-benzoate

Description: Thymidine, 3′-benzoate, is an ester derivative of thymidine, a nucleoside that plays a crucial role in DNA synthesis. This compound features a benzoate group attached to the 3′ hydroxyl position of the thymidine molecule, which can influence its solubility and biological activity. Thymidine itself consists of a thymine base linked to a deoxyribose sugar, and the modification with a benzoate moiety can enhance its stability and alter its interaction with enzymes and receptors. The presence of the aromatic benzoate group may also impart unique properties, such as increased lipophilicity, which can affect its permeability across biological membranes. Thymidine derivatives are often studied for their potential applications in medicinal chemistry, particularly in antiviral and anticancer therapies, as they can mimic natural nucleosides and interfere with nucleic acid metabolism. The CAS number 17331-53-2 uniquely identifies this compound in chemical databases, facilitating research and regulatory processes.

Formula: C₁₇H₁₈N₂O₆

InChI: InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1

InChI key: InChIKey=CZRPYTUJUAJMJJ-BFHYXJOUSA-N

SMILES: O=C(OC1CC(OC1CO)N2C=C(C(=O)NC2=O)C)C=3C=CC=CC3

Synonyms:

• 1-[(4xi)-3-O-benzoyl-2-deoxy-beta-D-glycero-pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
• 3′-O-Benzoylthymidine
• Thymidine 3'-benzoate
• Thymidine, 3′-benzoate

Thymidine, 3'-benzoate

CAS: 17331-53-2

• Formula: C₁₇H₁₈N₂O₆
• Molecular weight: 346.3346

3'-O-Benzoylthymidine

CAS: 17331-53-2

3'-O-Benzoylthymidine is a nucleoside that is used in the synthesis of DNA. It is a …

• Formula: C₁₇H₁₈N₂O₆
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 346.34 g/mol