CAS 54504-71-1

2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate

Description:

2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate, with CAS number 54504-71-1, is a chemical compound that exhibits characteristics typical of purine derivatives. It features a complex structure that includes a purine moiety, which is known for its role in biological systems, particularly in nucleic acid metabolism. The presence of a hydroxyl group and an acetate moiety suggests potential for solubility in polar solvents, while the chlorophenoxy group may impart specific biological activity or enhance lipophilicity. This compound may be of interest in pharmaceutical research due to its structural components, which could influence its interaction with biological targets. Additionally, the presence of multiple functional groups indicates potential for various chemical reactions, making it a candidate for further synthetic modifications. As with many compounds of this nature, understanding its stability, reactivity, and biological effects would be crucial for applications in medicinal chemistry or agrochemicals.

Formula: C₁₈H₁₉ClN₄O₆

InChI: InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3

InChI key: InChIKey=YMCNTAHTWKEECY-UHFFFAOYSA-N

SMILES: C(C(COC(COC1=CC=C(Cl)C=C1)=O)O)N2C3=C(N=C2)N(C)C(=O)N(C)C3=O

Synonyms:

• Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
• ML 1035 (hypolipemic agent)
• Acetic acid, 2-(4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
• 2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate
• ML 1035

ML 1035

CAS: 54504-71-1

ML 1035 is a benzamide that elicits contractions from guinea-pig non-stimulated ileum.

Formula: C₁₈H₁₉ClN₄O₆

Color and Shape: Solid

Molecular weight: 422.82

Ref: TM-T33449