CAS 116384-54-4

Ethyl hydrogen P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate

Description:

Ethyl hydrogen P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate, identified by its CAS number 116384-54-4, is a chemical compound that belongs to the class of phosphonates. This substance features a phosphonate group, which is characterized by the presence of a phosphorus atom bonded to oxygen atoms, contributing to its potential as a bioactive molecule. The compound contains a purine derivative, specifically 6-amino-9H-purine, which is a structural component of nucleotides, suggesting possible applications in biochemistry and molecular biology. The ethoxy and methyl groups enhance its solubility and reactivity, making it suitable for various synthetic pathways. Ethyl hydrogen P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate may exhibit biological activity, potentially influencing nucleic acid metabolism or serving as a precursor in the synthesis of nucleotide analogs. Its unique structure and functional groups make it a subject of interest in medicinal chemistry and drug development, particularly in the context of antiviral or anticancer research.

Formula: C₁₀H₁₆N₅O₄P

InChI: InChI=1S/C10H16N5O4P/c1-2-19-20(16,17)7-18-4-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4,7H2,1H3,(H,16,17)(H2,11,12,13)

InChI key: InChIKey=MRBIAWVMKIZTRX-UHFFFAOYSA-N

SMILES: C(COCP(OCC)(=O)O)N1C=2C(N=C1)=C(N)N=CN2

Synonyms:

• Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester
• Ethyl 9-[2-(phosphonomethoxy)ethyl]adenine
• Ethyl hydrogen P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate
• Phosphonic acid, P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester
• Adefovir Dipivoxyl Impurity E
• Adefovir Dipivoxil Impurity E
• Adefovir Impurity 32
• Adefovir Dipivoxil Impurity 33
• ethyl hydrogen ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate
• Adefovir Dipivoxil Impurity 16

Adefovir Dipivoxil Impurity 16

CAS: 116384-54-4

Formula: C₁₀H₁₆N₅O₄P

Molecular weight: 301.24

Ref: 4Z-A-3626

O-Ethyl Adefovir

Controlled Product

CAS: 116384-54-4

Applications O-Ethyl Adefovir is an intermediate in the synthesis of Mono-POM Ethyl Adefovir (M567050), which is an analogue of the antiviral drug Adefovir (A247500) with a mono-POM ester protecting group.
References Starrett, J.E. et al.: J. Med. Chem., 37, 1857 (1994);

Formula: C₁₀H₁₆N₅O₄P

Color and Shape: Neat

Molecular weight: 301.24

Ref: TR-E897120

O-Ethyl Adefovir

CAS: 116384-54-4

Formula: C₁₀H₁₆N₅O₄P

Molecular weight: 301.24

Ref: ST-EA-CP-A172009