CAS 1357354-76-7

9-[(2R,6S)-6-[[[Chloro(dimethylamino)phosphinyl]oxy]methyl]-4-(triphenylmethyl)-2-morpholinyl]-2-[(2-methyl-1-oxopropyl)amino]-9H-purin-6-yl N,N-diphenylcarbamate

Description:

The chemical substance with the name "9-[(2R,6S)-6-[[[Chloro(dimethylamino)phosphinyl]oxy]methyl]-4-(triphenylmethyl)-2-morpholinyl]-2-[(2-methyl-1-oxopropyl)amino]-9H-purin-6-yl N,N-diphenylcarbamate" and CAS number 1357354-76-7 is a complex organic compound characterized by its intricate molecular structure, which includes a purine base, morpholine, and a carbamate functional group. This compound features a phosphinyl group, which is notable for its potential biological activity, particularly in the context of medicinal chemistry. The presence of a chloro(dimethylamino) substituent suggests possible interactions with biological targets, making it of interest in drug development. Its triphenylmethyl group may contribute to its lipophilicity, influencing its pharmacokinetic properties. The stereochemistry indicated by the (2R,6S) configuration suggests specific spatial arrangements that could affect its biological interactions. Overall, this compound's unique structural features may confer specific properties, making it a candidate for further investigation in therapeutic applications.

Formula: C₄₈H₄₈ClN₈O₆P

InChI: InChI=1S/C48H48ClN8O6P/c1-34(2)44(58)52-46-51-43-42(45(53-46)63-47(59)57(38-26-16-8-17-27-38)39-28-18-9-19-29-39)50-33-56(43)41-31-55(30-40(62-41)32-61-64(49,60)54(3)4)48(35-20-10-5-11-21-35,36-22-12-6-13-23-36)37-24-14-7-15-25-37/h5-29,33-34,40-41H,30-32H2,1-4H3,(H,51,52,53,58)/t40-,41+,64?/m0/s1

InChI key: InChIKey=RXKFVIDODWLSLB-OZOXZPMLSA-N

SMILES: C(N1C[C@@H](O[C@H](COP(N(C)C)(Cl)=O)C1)N2C=3C(N=C2)=C(OC(N(C4=CC=CC=C4)C5=CC=CC=C5)=O)N=C(NC(C(C)C)=O)N3)(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Synonyms:

• Carbamic acid, N,N-diphenyl-, 9-[(2R,6S)-6-[[[chloro(dimethylamino)phosphinyl]oxy]methyl]-4-(triphenylmethyl)-2-morpholinyl]-2-[(2-methyl-1-oxopropyl)amino]-9H-purin-6-yl ester
• 9-[(2R,6S)-6-[[[Chloro(dimethylamino)phosphinyl]oxy]methyl]-4-(triphenylmethyl)-2-morpholinyl]-2-[(2-methyl-1-oxopropyl)amino]-9H-purin-6-yl N,N-diphenylcarbamate
• [(2S,6R)-6-{N2-(Isobutyryl)-O6-(diphenylcarbomoyl)guanin-9-yl}-4-tritylmorpholin-2-yl]methyl dimethyl-phosphoramidochloridate
• N,N-Diphenylcarbamic acid 9-[(2R,6S)-6-[[[chloro(dimethylamino)phosphinyl]oxy]methyl]-4-(triphenylmethyl)-2-morpholinyl]-2-[(2-methyl-1-oxopropyl)amino]-9H-purin-6-yl ester

[(2S,6R)-6-{N2-(Isobutyryl)-O6-(diphenylcarbomoyl)guanin-9-yl}-4-tritylmorpholin-2-yl]methyl dimethyl-phosphoramidochloridate

CAS: 1357354-76-7

[(2S,6R)-6-{N2-(Isobutyryl)-O6-(diphenylcarbamoyl)guanin-9-yl}-4-tritylmorpholin-2-yl]methyl dimethylphosphoramidochloridate is a novel antiviral agent that is structurally related to the nucleoside analogues. It is synthesized by reacting an N2-(isobutyryl)O6-(diphenylcarbamoyl)guanin with 2,6-bis(trityl)morpholine and methyl dimethyl phosphite in dichloromethane. This compound has been shown to be active against herpes simplex virus type 1 (HSV1), HSV type 2 (HSV2), and cytomegalovirus (CMV). [(2S,6R)-6-{N2-(Isobutyryl)-O

Formula: C₄₈H₄₈ClN₈O₆P

Purity: Min. 95%

Molecular weight: 899.37 g/mol

Ref: 3D-NI58200