Oxiracetam

CAS Number 62613-82-5
Molecular Formula C₆H₁₀N₂O₃
Molecular Weight 158.16 g/mol
Purity ≥99.5%
Appearance White crystalline powder

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Product Description

Oxiracetam is an organooxygen and organonitrogen nootropic compound structurally related to alpha-amino acids. As a small-molecule racetam derivative, it has reached Phase II clinical development and is under investigation for one cognitive indication. Extensive trials—including a large, multicenter, double-blind Phase IV study in post-stroke patients—have explored its potential to attenuate vascular cognitive impairment, either alone or combined with physical exercise, yet robust evidence of clinically meaningful benefit remains elusive.

Synthesis and Production

  • Key Starting Materials: The process begins with protecting the hydroxyl group of 4-hydroxy-2-pyrrolidone using either a tert-butyldimethylsilyl (TBDMS) or tert-butyldiphenylsilyl group.

  • Reaction Steps:

    1. Alkylation: The protected pyrrolidone reacts with a low molecular weight halogenated acetic ester (e.g., 2-bromoacetic acid ethyl, isopropyl, or benzyl ester) in a non-protic solvent (like THF) under basic conditions (using HMDSLi) to form an ester intermediate.

    2. Ammonolysis (Amide Formation): The ester intermediate is reacted with concentrated ammonia water, yielding the corresponding amide compound. A key advantage noted is that this intermediate often crystallizes directly from the reaction mixture with high purity (>99%), allowing impurities to be removed by simple filtration.

    3. Deprotection: The silyl protecting group is removed using an acidic methanol solution (e.g., HCl/MeOH). The inventors found that during this step, any residual carboxylic acid impurities esterify with the methanol solvent and remain in solution, while the target Oxiracetam precipitates as a solid with high purity (>99%).

  • Advantages over Prior Art: This method avoids the need for complex and destructive purification processes like repeated ion-exchange resin chromatography and extensive water concentration, which in other methods led to product hydrolysis and low purity. It offers high overall yield (e.g., ~85% for alkylation, ~92% for ammonolysis, ~96% for deprotection) and is suitable for large-scale GMP production.

Uses and Applications

Oxiracetam is a nootropic agent with established and investigated therapeutic applications, primarily in cognitive disorders.

  • Primary Therapeutic Uses:

    • Cognitive Enhancement: Used to improve memory, learning capacity, focus, and logical reasoning.

    • Post-Stroke Cognitive Impairment (PSCI): A significant indication, particularly in some regions like South Korea, where it has been widely prescribed and reimbursed.

    • Dementia and Cognitive Decline: Used for treating vascular dementia, multi-infarct dementia, and age-related cognitive impairment, including Alzheimer's disease.

    • Traumatic Brain Injury (TBI): Investigated for improving memory and cognitive function in patients with mild-to-moderate TBI.

  • Pharmacological Classification:

    • ATC Code: N06BX07 (Other psychostimulants and nootropics).

    • MeSH Classification: Classified under Nootropic Agents and Psychotropic Drugs.

Chemical and Physical Properties

  • Chemical Identifiers:

    • IUPAC Name: 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide

    • Molecular Formula: C₆H₁₀N₂O₃

    • CAS Registry Number: 62613-82-5

    • Other IDs: UNII (P7U817352G), ChEBI (CHEBI:134788), DrugBank (DB13601), InChIKey (IHLAQQPQKRMGSS-UHFFFAOYSA-N)

  • Computed Physicochemical Properties:

    • Molecular Weight: 158.16 g/mol

    • XLogP3: -2.2 (Indicates high hydrophilicity)

    • Hydrogen Bond Donor Count: 2

    • Hydrogen Bond Acceptor Count: 3

    • Rotatable Bond Count: 2

    • Topological Polar Surface Area (TPSA): 83.6 Ų

    • Monoisotopic Mass: 158.06914219 Da

  • Structural Characteristics:

    • Oxiracetam is a derivative of 2-pyrrolidone and is a cyclic derivative of GABA.

    • It contains one undefined stereocenter, meaning it is typically used as a racemic mixture.

Safety and Handling

  • Hazard Identification (GHS Classification):

    • Pictogram: GHS07 (Exclamation mark)

    • Signal Word: Warning

    • Hazard Statements:

      • H315: Causes skin irritation.

      • H319: Causes serious eye irritation.

    • Precautionary Statements: Codes include P264, P280, P305+P351+P338, P337+P317, etc., advising measures like washing skin thoroughly after handling, wearing protective gloves/eye protection, and rinsing eyes cautiously if exposed.

  • Toxicity Information:

    • The provided data does not indicate high acute toxicity. It is generally considered to have low toxicity, with reported side effects in clinical use being mild (e.g., headache, insomnia, nausea).

  • Handling Precautions:

    • Standard personal protective equipment (PPE) is recommended, including gloves and eye protection, to avoid skin and eye contact.

    • Adequate ventilation should be ensured during handling.

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