CAS 1251012-71-1

rel-5-(1,1-Dimethylethyl) (3aR,7aR)-3a,6,7,7a-tetrahydroisoxazolo[4,5-c]pyridine-3,5(4H)-dicarboxylate

Description:

The chemical substance known as rel-5-(1,1-Dimethylethyl) (3aR,7aR)-3a,6,7,7a-tetrahydroisoxazolo[4,5-c]pyridine-3,5(4H)-dicarboxylate, with the CAS number 1251012-71-1, is a complex organic compound characterized by its unique bicyclic structure that incorporates both isoxazole and pyridine moieties. This compound features multiple functional groups, including dicarboxylate esters, which contribute to its potential reactivity and solubility properties. The presence of the tert-butyl group (1,1-Dimethylethyl) enhances its lipophilicity, potentially influencing its biological activity and interaction with various biological targets. The stereochemistry indicated by the (3aR,7aR) configuration suggests specific spatial arrangements that may be crucial for its pharmacological properties. Such compounds are often of interest in medicinal chemistry for their potential therapeutic applications, particularly in areas such as neuropharmacology or as enzyme inhibitors. However, detailed studies on its biological activity, toxicity, and specific applications would be necessary to fully understand its characteristics and potential uses.

Formula: C₁₂H₁₈N₂O₅

InChI: InChI=1/C12H18N2O5/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)9(10(15)16)13-19-8/h7-8H,4-6H2,1-3H3,(H,15,16)/t7-,8+/s2

InChI key: InChIKey=CYCCODIXSQULCI-HGXVMFPFNA-N

SMILES: C(O)(=O)C=1[C@@]2([C@](ON1)(CCN(C(OC(C)(C)C)=O)C2)[H])[H]

Synonyms:

• Isoxazolo[4,5-c]pyridine-3,5(4H)-dicarboxylic acid, 3a,6,7,7a-tetrahydro-, 5-(1,1-dimethylethyl) ester, (3aR,7aR)-rel-
• rel-5-(1,1-Dimethylethyl) (3aR,7aR)-3a,6,7,7a-tetrahydroisoxazolo[4,5-c]pyridine-3,5(4H)-dicarboxylate