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Dibenzo[a,i]pyrene-[d14]

General Information
Catalog: BLP-007344
CAS: 158776-07-9
Molecular Formula: C24D14
Molecular Weight: 316.45
Chemical Structure
Dibenzo[a,i]pyrene-[d14]
Description Dibenzo[a,i]pyrene-[d14] is the labelled analogue of Dibenzo[a,i]pyrene, which is a polycyclic aromatic hydrocarbon (PAH) with potent carcinogenic activity.
Synonyms Dibenzo[a,i]pyrene-d14; Benzo[rst]pentaphene-d14; Benzo[rst]pentacene-d14; 1,2:7,8-Dibenzpyrene-d14; 3,4:9,10-Dibenzopyrene-d14; Dibenzo[b,h]pyrene-d14; NSC 87521-d14; Acenaphth[1,2-b]anthracene-d14
IUPAC Name 3,4,5,6,8,10,11,13,15,16,17,18,21,22-tetradecadeuteriohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene
Related CAS 189-55-9 (unlabelled)
Canonical SMILES C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3
InChI InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
InChI Key TUGYIJVAYAHHHM-WZAAGXFHSA-N
Melting Point >198°C (dec.)
Purity 98% by CP; 98% atom D
Solubility Slightly soluble in Chloroform (Sonicated)
Appearance Yellow Solid
Storage Store at 2-8°C

Dibenzo[a,i]pyrene-[d14], a labeled polycyclic aromatic hydrocarbon, plays a pivotal role in environmental contamination and biological pathway research. Here are key applications of Dibenzo[a,i]pyrene-[d14] presented with high perplexity and burstiness:

Environmental Toxicology: In the realm of environmental studies, Dibenzo[a,i]pyrene-[d14] serves as a beacon for tracing the pathways of polycyclic aromatic hydrocarbons (PAHs) in ecosystems. By harnessing this isotopically labeled compound, researchers can meticulously map out the distribution, degradation, and persistence of PAHs in soil, water, and air. This aids in assessing the ecological ramifications and conducting risk assessments of environmental contaminants with precision.

Biochemical Studies: Delving into the intricate world of biochemical research, Dibenzo[a,i]pyrene-[d14] takes center stage in unraveling the metabolic pathways involved in the activation and detoxification of PAHs. The labeled compound acts as a guide, allowing scientists to trace its metabolic journey and pinpoint the specific enzymes responsible for its bioactivation. This deep dive into molecular mechanisms sheds light on the intricate dance between PAH exposure and cancer development, paving the way for innovative prevention strategies.

Pharmacokinetic Research: Serving as a cornerstone in pharmacokinetic studies, Dibenzo[a,i]pyrene-[d14] acts as a surrogate compound for evaluating the absorption, distribution, metabolism, and excretion (ADME) of PAHs in biological systems. By leveraging this compound as a tracking tool, researchers gain valuable insights into the movement and transformation of PAHs in animal models, offering a window into human health risks associated with PAH exposure. These studies play a vital role in shaping regulatory decisions and ensuring safety assessments are comprehensive.

Analytical Chemistry: In the domain of analytical chemistry, Dibenzo[a,i]pyrene-[d14] assumes the crucial role of an internal standard in quantifying PAHs in complex environmental and biological samples. Its stable isotopic labeling acts as a shield, facilitating meticulous and accurate mass spectrometric analysis by compensating for matrix effects and heightening detection sensitivity. This precise quantification method is indispensable for regulatory monitoring and compliance with stringent environmental guidelines, ensuring the safety and well-being of our surroundings.

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