CAS 1241675-87-5

rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-1,3-pyrrolidinedicarboxylate

Description:

The chemical substance known as rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-1,3-pyrrolidinedicarboxylate, with the CAS number 1241675-87-5, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including pyrrolidine and oxazine moieties, which contribute to its potential biological activity. The presence of chiral centers indicates that the compound may exhibit stereoisomerism, which can influence its pharmacological properties. This substance is likely to be of interest in medicinal chemistry, particularly in the development of therapeutic agents, due to its unique structural features. Its solubility, stability, and reactivity would depend on the specific conditions of the environment, such as pH and temperature. Additionally, the compound's interactions with biological targets could be explored for potential applications in drug discovery and development. Further studies would be necessary to elucidate its complete profile, including its mechanism of action and potential therapeutic uses.

Formula: C₂₃H₃₃N₃O₆

InChI: InChI=1/C23H33N3O6/c1-22(2,3)20(28)26-10-11-31-18-17(26)9-8-16(24-18)14-12-25(13-15(14)19(27)30-7)21(29)32-23(4,5)6/h8-9,14-15H,10-13H2,1-7H3/t14-,15+/s2

InChI key: InChIKey=KEFLLIICCJUNDI-PVRQQBJHNA-N

SMILES: C(OC)(=O)[C@@H]1[C@@H](CN(C(OC(C)(C)C)=O)C1)C=2N=C3C(=CC2)N(C(C(C)(C)C)=O)CCO3

Synonyms:

• 1,3-Pyrrolidinedicarboxylic acid, 4-[1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,4S)-rel-
• rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-1,3-pyrrolidinedicarboxylate