Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate

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Cat Number

INT2170746957

CAS Number

2170746-95-7

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Product Detail Description Customer Q&A

CAS Number

2170746-95-7

Synonyms

5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undec-1-yl)-, ethyl ester

Molecular Formula

C17H24N4O3S

Molecular Weight

364.46

Boiling Point

615.1℃

Relative Density

1.3

pKa

14.35

General Description

Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate is a structurally complex spiro-heterocyclic intermediate combining a pyrimidine core with a 1,4-diazaspiro[5.5]undecan-3-one moiety via a pyrimidine-4-yl substituent. The methylthio group at the C-2 position of the pyrimidine ring provides a versatile handle for further functionalization through nucleophilic aromatic substitution (SNAr) reactions.

Mechanism of Action

This compound functions as a late-stage intermediate in the synthesis of spiro-containing kinase inhibitors and CNS-active pharmaceutical agents. The pyrimidine ring system provides a heterocyclic scaffold with potential for binding to the hinge region of protein kinases, while the spiro[5.5]undecanone moiety contributes conformational rigidity and lipophilicity that enhance target selectivity and brain penetration. The ethyl ester at the pyrimidine-5 position allows further elaboration through hydrolysis and amide coupling reactions.

Application

Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate is used in medicinal chemistry programs focused on the discovery of CNS therapeutics, including selective kinase inhibitors, sigma receptor modulators, and cognition-enhancing agents. The spiro-pyrimidine scaffold is a privileged motif in multiple CNS drug pipelines and serves as a key building block in the synthesis of investigational compounds targeting neurological disorders.

What is the recommended storage condition for Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate?

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

What documentation is provided with each batch of Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate?

Each batch is accompanied by a Certificate of Analysis (COA) covering identity, potency, and relevant purity tests. Safety Data Sheets (SDS) are available upon request.

Is Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate available in high-chemical-purity grade for pharmaceutical synthesis?

Yes, it is supplied in high chemical purity grades suitable for demanding pharmaceutical intermediate applications. Specifications and analytical data are available upon request.

Is Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate compatible with common organic solvents used in pharmaceutical synthesis?

Solubility and compatibility information is available in the technical data sheet. For specific solvent compatibility questions, please contact our technical team.

Does your company offer custom packaging for Ethyl 2-(methylthio)-4-(3-oxo-1,4-diazaspiro[5.5]undecan-1-yl)pyrimidine-5-carboxylate?

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