CAS 59111-78-3

D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate]

Description:

D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate] is a complex chemical compound characterized by its structural components, which include a furanose sugar moiety, a purine base, and a phosphoramidate group. This compound is notable for its potential biological activity, particularly in the context of nucleoside analogs and their applications in medicinal chemistry. The presence of the phosphoramidate linkage suggests potential for enhanced stability and bioactivity, making it of interest in drug development. The specific stereochemistry and functional groups contribute to its reactivity and interaction with biological targets. As a member of the broader class of nucleoside derivatives, it may exhibit properties such as antiviral or anticancer activity, although detailed studies would be necessary to elucidate its pharmacological profile. Overall, this compound exemplifies the intricate relationship between structure and function in bioactive molecules.

Formula: C₂₂H₃₆N₆O₁₆P₂

InChI: InChI=1/C22H36N6O16P2/c1-8(2)13(32)15(34)20(36)27-45(37,38)41-5-9-3-10(30)21(42-9)28-7-25-12-18(23-6-24-19(12)28)26-46(39,40)44-22-16(35)14(33)17(43-22)11(31)4-29/h6-11,13-17,21-22,29-35H,3-5H2,1-2H3,(H2,27,36,37,38)(H2,23,24,26,39,40)/t9-,10-,11+,13+,14+,15-,16+,17-,21?,22?/m0/s1

InChI key: InChIKey=FIMRCGIHIAIVOL-HQSJGFGRSA-N

SMILES: O[C@@H]1[C@H](N2C=3C(N=C2)=C(NP(OC4O[C@@]([C@@H](CO)O)([C@H](O)[C@H]4O)[H])(=O)O)N=CN3)O[C@H](COP(NC([C@H]([C@@H](C(C)C)O)O)=O)(=O)O)C1

Synonyms:

• D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate]
• Agrocin 84
• Mono-D-glucofuranosyl [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate
• agrocin 84

Agrocin 84

CAS: 59111-78-3

Agrocin 84 is a microbial metabolite that inhibits DNA and protein synthesis, as well as amino acid transport, in the susceptible and virulent Agrobacterium strain H-38-9.

Formula: C₂₂H₃₆N₆O₁₆P₂

Color and Shape: Solid

Molecular weight: 702.499

Ref: TM-TN8977