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[Benchchem] 6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid

Cat-No. B181574

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제품 설명


6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid




제품 번호


B181574




제품 특징


CAS No.:4887-54-1
M. Wt:213.23 g/mol
InChI Key:JZPUNXSUQDDCBD-UHFFFAOYSA-N
Attention:For research use only. Not for human or veterinary use.


Scientific Research Applications

6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid has a wide range of scientific research applications, including:


Safety and Hazards

“6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid” may cause serious eye irritation and may damage fertility or the unborn child . It is also classified as a potential carcinogen .


Mechanism of Action

Target of Action

It’s known that this compound is a heterocyclic building block , which suggests it may interact with various biological targets depending on the specific context.

Mode of Action

It’s known that this compound can react with primary amines and free thiols , suggesting it may form covalent bonds with proteins or other biomolecules containing these functional groups.

Biochemical Pathways

Given its reactivity with amines and thiols , it’s plausible that this compound could influence a variety of biochemical pathways involving proteins or other biomolecules with these functional groups.

Result of Action

Given its reactivity with amines and thiols , it’s plausible that this compound could induce modifications in proteins or other biomolecules, potentially altering their function.

Action Environment

It’s known that this compound is generally considered safe under normal use conditions . It should be stored in a dry, cool place, away from sunlight or high-temperature environments .


Preparation Methods


6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid can be synthesized through chemical synthesis involving multi-step reactions. These reactions typically require organic synthesis laboratory conditions and techniques . The specific preparation methods may vary, but they generally involve the use of various reagents and catalysts to achieve the desired product.


Chemical Reactions Analysis


6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid undergoes several types of chemical reactions, including:

  • Oxidation: This reaction involves the addition of oxygen or the removal of hydrogen from the compound.

    Reduction: This reaction involves the addition of hydrogen or the removal of oxygen from the compound.

    Substitution: This reaction involves the replacement of one atom or group of atoms in the compound with another atom or group of atoms.

Common reagents and conditions used in these reactions include oxidizing agents, reducing agents, and various catalysts. The major products formed from these reactions depend on the specific reagents and conditions used .


Comparison with Similar Compounds


6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid is structurally related to several other compounds, including:

  • 6-[C12-18-alkyl-(branched, unsaturated)-2,5-dioxopyrrolidin-1-yl]hexanoic acid:

    6-[(C10-C13)-alkyl-(branched, unsaturated)-2,5-dioxopyrrolidin-1-yl]hexanoic acid:

The uniqueness of this compound lies in its specific molecular structure, which imparts unique properties such as its ability to act as a transdermal penetration enhancer and its anti-inflammatory and analgesic effects .


Properties

IUPAC Name

6-(2,5-dioxopyrrolidin-1-yl)hexanoic acid
Source    

InChI

InChI=1S/C10H15NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h1-7H2,(H,14,15)
Source    

InChI Key

JZPUNXSUQDDCBD-UHFFFAOYSA-N
Source    

Canonical SMILES

C1CC(=O)N(C1=O)CCCCCC(=O)O
Source    

Molecular Formula

C10H15NO4
Source    

DSSTOX Substance ID

DTXSID20307548
Source    

Molecular Weight

213.23 g/mol
Source    

CAS No.

4887-54-1
Source    

Retrosynthesis Analysis

AI-Powered Synthesis Planning: Our tool employs the Template_relevance Pistachio, Template_relevance Bkms_metabolic, Template_relevance Pistachio_ringbreaker, Template_relevance Reaxys, Template_relevance Reaxys_biocatalysis model, leveraging a vast database of chemical reactions to predict feasible synthetic routes.

One-Step Synthesis Focus: Specifically designed for one-step synthesis, it provides concise and direct routes for your target compounds, streamlining the synthesis process.

Accurate Predictions: Utilizing the extensive PISTACHIO, BKMS_METABOLIC, PISTACHIO_RINGBREAKER, REAXYS, REAXYS_BIOCATALYSIS database, our tool offers high-accuracy predictions, reflecting the latest in chemical research and data.

Strategy Settings

Precursor scoringRelevance Heuristic
Min. plausibility0.01
ModelTemplate_relevance
Template SetPistachio/Bkms_metabolic/Pistachio_ringbreaker/Reaxys/Reaxys_biocatalysis
Top-N result to add to graph6


Feasible Synthetic Routes

6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid
6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid
6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid
6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid
6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid
6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid

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Please be aware that all articles and product information presented on BenchChem are intended solely for informational purposes. The products available for purchase on BenchChem are specifically designed for in-vitro studies, which are conducted outside of living organisms. In-vitro studies, derived from the Latin term "in glass," involve experiments performed in controlled laboratory settings using cells or tissues. It is important to note that these products are not categorized as medicines or drugs, and they have not received approval from the FDA for the prevention, treatment, or cure of any medical condition, ailment, or disease. We must emphasize that any form of bodily introduction of these products into humans or animals is strictly prohibited by law. It is essential to adhere to these guidelines to ensure compliance with legal and ethical standards in research and experimentation.


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