CAS 73477-63-1

2,5-Diamino-6-[(5-O-phosphono-β-<span class="text-smallcaps">D</span>-ribofuranosyl)amino]-4(1H)-pyrimidinone

Description:

2,5-Diamino-6-[(5-O-phosphono-β-D-ribofuranosyl)amino]-4(1H)-pyrimidinone, with CAS number 73477-63-1, is a chemical compound that features a pyrimidinone core structure substituted with amino groups and a phosphonated ribofuranosyl moiety. This compound is characterized by its dual amino functionalities at the 2 and 5 positions of the pyrimidine ring, which can participate in hydrogen bonding and contribute to its biological activity. The presence of the phosphonated ribofuranosyl group enhances its solubility and potential interactions with biological macromolecules, making it of interest in biochemical research, particularly in the context of nucleic acid metabolism and enzyme inhibition. Its structural complexity suggests potential applications in medicinal chemistry, especially as a lead compound for developing antiviral or anticancer agents. The compound's stability, reactivity, and interaction with biological targets would be influenced by its functional groups and overall molecular conformation, which are critical for its pharmacological properties.

Formula: C₉H₁₆N₅O₈P

InChI: InChI=1S/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1

InChI key: InChIKey=OCLCLRXKNJCOJD-UMMCILCDSA-N

SMILES: N([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C2=C(N)C(=O)N=C(N)N2