3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
[CAS# 1370250-39-7]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Triazines
• Name: 3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
• Synonyms: 7-(Benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
• Molecular Formula: C₁₇H₁₇N₃O₄
• Molecular Weight: 327.33
• CAS Registry Number: 1370250-39-7
• SMILES: C1COCC2N1C(=O)C3=C(C(=O)C=CN3N2)OCC4=CC=CC=C4

Properties

• Solubility: Very slightly soluble (0.14 g/L) (25 ºC), Calc.^*
• Density: 1.43±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Index of Refraction: 1.680, Calc.^*
• Boiling Point: 575.3±60.0 ºC (760 mmHg), Calc.^*
• Flash Point: 301.7±32.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319
• Precautionary Statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Discovory and Applicatios

3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione is a complex heterocyclic compound that has attracted attention in the field of medicinal chemistry due to its unique structure and potential pharmacological properties. The compound belongs to a class of molecules containing multiple fused rings, which is typical of many bioactive compounds. Its intricate structure combines elements from oxazine, pyridine, and triazine rings, which are known to exhibit various biological activities, making it an interesting subject for drug discovery.

The discovery of this compound stems from ongoing research aimed at synthesizing novel heterocyclic compounds with enhanced activity against various diseases. The synthesis of 3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione involves several key steps, including the formation of fused aromatic rings and the introduction of functional groups such as the phenylmethoxy and carbonyl groups. These modifications are intended to enhance the compound’s solubility, stability, and ability to interact with biological targets.

The compound’s potential applications are diverse. The combination of oxazine, pyridine, and triazine rings suggests that it may interact with various enzymes and receptors involved in cellular signaling pathways, which could be beneficial in treating a variety of diseases, including cancer and neurological disorders. Compounds with similar structural features have been shown to have activity as enzyme inhibitors, receptor antagonists, and modulators of signal transduction, all of which are valuable in drug development.

In particular, the presence of the phenylmethoxy group is notable because it can increase the compound’s lipophilicity, potentially improving its ability to cross the blood-brain barrier. This could make 3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione a candidate for central nervous system (CNS) disorders, where it could act on neurotransmitter systems or enzymes that contribute to neurodegeneration or psychiatric conditions.

The versatility of this compound also extends to its use as a starting material for the development of new drug candidates. Researchers can modify its structure further to improve potency, selectivity, and pharmacokinetics. Such modifications may involve the introduction of additional functional groups or altering the stereochemistry of the compound to better match specific biological targets. The process of optimizing these compounds for clinical use involves extensive testing in vitro and in vivo, including studies on their toxicity, efficacy, and ability to reach therapeutic concentrations in target tissues.

Overall, 3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione represents a promising area of study within medicinal chemistry, with its complex molecular structure offering multiple avenues for exploration in drug development. As research continues, this compound may contribute to the discovery of novel treatments for diseases that currently have limited therapeutic options.