1,4-Diaza-spiro[5.5]undecan-3-one

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Cat Number

INT1547757914

CAS Number

1547757-91-4

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Product Detail Description Customer Q&A

CAS Number

1547757-91-4

Storage

2-8℃

Molecular Formula

C9H16N2O

Molecular Weight

168.24

Smiles

N1C2(CCCCC2)CNC(=O)C1

Appearance

White to pale yellow powder

Boiling Point

369.8℃

Relative Density

1.09

pKa

16.38

General Description

1,4-Diaza-spiro[5.5]undecan-3-one is a spiro-fused heterocyclic intermediate featuring a nitrogen-containing bicyclic scaffold combining a piperidine and a diazepane ring system. This rigid spiro architecture constrains the conformational flexibility of the molecule, making it valuable as a privileged structural motif in central nervous system (CNS) drug discovery programs targeting GPCRs, particularly those involving sigma receptors, and as a scaffold in kinase inhibitor design.

Mechanism of Action

The 1,4-diaza-spiro[5.5]undecan-3-one scaffold serves primarily as a pharmacokinetic and structural element rather than a direct-acting therapeutic agent. Its spiro-fused bicyclic architecture is designed to occupy specific lipophilic binding pockets in target proteins while the diaza functionality provides opportunities for hydrogen bonding. The conformational constraint imposed by the spiro junction improves target selectivity and metabolic stability.

Application

1,4-Diaza-spiro[5.5]undecan-3-one is used as a key intermediate in the synthesis of CNS-active pharmaceutical compounds, including sigma receptor ligands, NK1 receptor antagonists, and modulators of ion channels. Its spiro-heterocyclic structure is frequently incorporated into the design of candidates for neurological and psychiatric disorders. It is also used as a building block in the synthesis of peptidomimetic compounds.

What is the recommended storage condition for 1,4-Diaza-spiro[5.5]undecan-3-one?

It should be stored at 2-8°C in a well-sealed container, protected from moisture and direct light, to maintain its chemical integrity throughout the shelf life.

Can we obtain batch-specific analytical data for 1,4-Diaza-spiro[5.5]undecan-3-one?

Batch-specific COA documents are standard with every shipment. Additional analytical reports, including HPLC chromatograms or spectral data, may be provided upon request.

What is the primary synthetic application of 1,4-Diaza-spiro[5.5]undecan-3-one?

It is widely used as a key building block or intermediate in multi-step pharmaceutical synthesis workflows, providing versatile reactivity for constructing target molecular architectures.

What analytical characterization data is available for 1,4-Diaza-spiro[5.5]undecan-3-one?

Standard analytical data including HPLC purity profile, NMR confirmation, and physical specifications are included in the COA. Additional characterization data can be arranged upon request.

Does your company offer custom packaging for 1,4-Diaza-spiro[5.5]undecan-3-one?

Yes, custom pack sizes are available. Specific quantity requirements can be discussed directly with our team to align with your production or research scale.