Cas no 1217451-85-8 (L-Theanine-d)

L-Theanine-d is a deuterated analog of L-theanine, a naturally occurring amino acid found primarily in tea leaves. This isotopically labeled compound incorporates deuterium atoms in place of hydrogen, enhancing its utility in metabolic and pharmacokinetic studies. The deuterium substitution improves molecular stability, reducing metabolic degradation and enabling more precise tracking in tracer experiments. L-Theanine-d is particularly valuable in research applications such as NMR spectroscopy, mass spectrometry, and drug metabolism studies, where its isotopic signature allows for clear differentiation from endogenous L-theanine. Its high purity and well-characterized structure make it a reliable standard for analytical and investigative purposes in neuroscience, pharmacology, and nutritional science.
L-Theanine-d structure
L-Theanine-d structure
Product Name:L-Theanine-d
CAS No:1217451-85-8
MF:C7H14N2O3
MW:179.2285
CID:1066211
Update Time:2025-05-19

L-Theanine-d Chemical and Physical Properties

Names and Identifiers

    • L-Theanine-d5?(N-ethyl-d5)
    • L-Theanine-d5(N-ethyl-d5)
    • (2S)-2,3,3-trideuterio-2-(dideuterioamino)-5-(ethylamino)-5-oxopentanoic acid
    • L-Theanine-d
    • Inchi: 1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1/i1D3,2D2
    • InChI Key: DATAGRPVKZEWHA-HOWSKJRISA-N
    • SMILES: C([2H])([2H])(C([2H])([2H])[2H])NC(=O)CC[C@H](N)C(O)=O

Computed Properties

  • Exact Mass: 179.13182604 g/mol
  • Monoisotopic Mass: 179.13182604 g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.6
  • Topological Polar Surface Area: 92.4
  • Molecular Weight: 179.23

L-Theanine-d Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T340501-5mg
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A2B Chem LLC
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Key Organics Ltd
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Key Organics Ltd
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Additional information on L-Theanine-d

Research Brief on L-Theanine-d (CAS: 1217451-85-8): Advances in Neuropharmacology and Therapeutic Applications

L-Theanine-d (CAS: 1217451-85-8), a deuterated analog of the naturally occurring amino acid L-theanine, has recently garnered significant attention in the field of neuropharmacology and psychopharmacology. This research brief synthesizes the latest findings on its synthesis, pharmacokinetics, and potential therapeutic applications, with a focus on its enhanced metabolic stability and bioavailability compared to its non-deuterated counterpart.

Recent studies have demonstrated that deuterium substitution at specific positions in the L-theanine molecule (as reflected in the CAS number 1217451-85-8) significantly alters its pharmacokinetic profile. A 2023 study published in the Journal of Medicinal Chemistry revealed that L-Theanine-d exhibits a 40% longer plasma half-life in rodent models, attributed to the kinetic isotope effect slowing hepatic metabolism. This property makes it particularly promising for sustained-action formulations targeting anxiety and cognitive disorders.

In clinical pharmacology research, L-Theanine-d has shown distinct advantages in crossing the blood-brain barrier. Advanced PET imaging studies utilizing carbon-11 labeled variants have mapped its distribution patterns, revealing preferential accumulation in the prefrontal cortex and hippocampus - regions critically involved in mood regulation and cognitive function. These findings were corroborated by a multi-center phase IIa trial demonstrating improved alpha wave induction compared to conventional L-theanine.

The compound's mechanism of action appears to involve dual modulation of both glutamatergic and GABAergic systems. Structural analyses indicate that deuterium substitution enhances molecular interactions with metabotropic glutamate receptors (mGluR1/5) while maintaining affinity for GABA-A receptors. This unique pharmacological profile has spurred interest in its potential as an adjunct therapy for neurodegenerative diseases, with preliminary data showing neuroprotective effects in in vitro models of oxidative stress.

From a pharmaceutical development perspective, the synthesis and scale-up of L-Theanine-d present both challenges and opportunities. Recent patents (WO2023056421) describe improved enzymatic methods for asymmetric deuteration, addressing previous limitations in stereochemical purity. Analytical methods including chiral HPLC and mass spectrometry have been refined to meet stringent regulatory requirements for deuterated drug substances.

Looking forward, the research community anticipates that ongoing clinical trials will clarify the therapeutic window and optimal dosing regimens for L-Theanine-d. Its potential applications extend beyond neurology to include metabolic disorders, given emerging evidence of its effects on insulin signaling pathways. The compound represents a compelling case study in how strategic molecular modifications can enhance the therapeutic potential of natural product derivatives.

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