Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
General Information |
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Catalog: BLP-007866 |
CAS: 1217072-99-5 |
Molecular Formula: C19H18D3N |
Molecular Weight: 266.40 |
Chemical Structure |
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Description | 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] is the labelled analogue of 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene, which is an intermediate in the preparation of Vedaprofen. |
Synonyms | 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-d3 |
IUPAC Name | 2-(4-cyclohexylnaphthalen-1-yl)-3,3,3-trideuteriopropanenitrile |
Isomeric SMILES | [2H]C([2H])([2H])C(C#N)C1=CC=C(C2=CC=CC=C21)C3CCCCC3 |
Canonical SMILES | CC(C#N)C1=CC=C(C2=CC=CC=C21)C3CCCCC3 |
InChI | InChI=1S/C19H21N/c1-14(13-20)16-11-12-17(15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h5-6,9-12,14-15H,2-4,7-8H2,1H3/i1D3 |
InChI Key | HTYSGPGOKDXWFH-FIBGUPNXSA-N |
Purity | ≥90% |
Solubility | Soluble in Chloroform, Dichloromethane, Ethyl Acetate |
Appearance | Oily Matter |
Storage | Store at -20°C |
1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] is a compound labeled with potential for diverse scientific research applications. Here are key applications of this compound presented with high perplexity and burstiness:
Radiolabeling Studies: Delving into radiolabeling studies, 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] emerges as a deuterium-labeled compound with the capacity to trace and quantify molecular interactions. Researchers venture into mapping the metabolic pathways of drugs and unraveling their pharmacokinetics and biodistribution within the body. This application proves particularly beneficial in the realm of developing safe and efficacious pharmaceuticals.
Nuclear Magnetic Resonance (NMR) Investigations: Stepping into the realm of NMR investigations, this compound, with its deuterium-labeled hydrogen atoms, becomes a pivotal tool in unraveling molecular structure and dynamics. The presence of deuterium elevates spectral clarity, facilitating intricate analysis of complex molecules. Researchers delve into comprehending the structural conformation and interactions of target molecules with nuanced precision.
Chemical Reaction Mechanism Elucidation: Unveiling the role of 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] in elucidating chemical reaction mechanisms, scientists harness its potential in investigating organic chemistry pathways. Deuterium's distinctive slower reactivity compared to hydrogen offers profound insights into kinetic isotope effects, enabling researchers to discern subtle nuances in reaction pathways. This understanding serves as a cornerstone in crafting efficient synthetic routes essential for scientific advancement.
Environmental Tracing: Transitioning to environmental tracing, this labeled compound assumes the role of a tracer in environmental studies, facilitating the tracking of pollutant pathways and evaluation of ecological impacts. Upon introduction into an ecosystem, its unique chemical signature enables precise monitoring of dispersion and degradation, aiding in the formulation of strategies to combat environmental contamination. This data serves as a linchpin in environmental conservation efforts, ensuring sustainable practices for future generations.
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