Shaanxi BLOOM Tech Co., Ltd. is one of the most experienced manufacturers and suppliers of iodomethane-d3 cas 865-50-9 in China. Welcome to wholesale bulk high quality iodomethane-d3 cas 865-50-9 for sale here from our factory. Good service and reasonable price are available.
Iodomethane-d3 is a colorless liquid, molecular formula CD3I, CAS 865-50-9, which can be used as isotope labeling reagent. It is a useful research chemical, which is used in biochemical research to analyze peptides and glycans by analytical spectroscopy. Deuterated amino acids have the same structure and similar properties with common amino acids. Deuterated amino acids can be widely used as tracers and internal standards. In clinical medicine, deuterated amino acids can be used to study some physiological mechanisms of human beings, animals, plants and microorganisms, and to reveal the physical and chemical processes in biological cells. Therefore, it is very necessary to study a synthetic method of s- (methyl D3) homocysteine doped with high level deuterium. Deuterated iodomethane is a good deuterium methylation reagent, which is usually synthesized by iodomethane. However, the traditional preparation method of deuterated iodomethane is complicated, the cheap iodized raw materials are in short supply, and the atomic economy is not high.
|
Chemical Formula |
CD3I |
|
Exact Mass |
145 |
|
Molecular Weight |
145 |
|
m/z |
145 (100.0%), 146 (1.1%) |
|
Elemental Analysis |
C, 8.29; H, 4.17; I, 87.55 |
|
|
|
It is a colorless liquid and can be used as an isotope labeling reagent. It is a useful research chemical. Uses Iodomethane-d3 CAS 865-50-9 is used in biochemical research to analyze peptides and glycans by applying analytical spectroscopy techniques. Please refer our enterprise standard or COA, if you need to negotiate, welcome to consult our sales. Welcome inquire! Our sales Dept. will provide the one-for-one service for you, including business and technology support. Addition information of chemical compound: MP - 66.5 ° C (lit.), BP 42 ° C (lit.), Density 2.330 g / ml at 25 ° C, Vapor density 4.89 (vs air), Vapor pressure 22.83 psi (55 ° C), Refractive index N20 / D 1.5262 (lit.), Storage conditions: 0-6 ° C, Form liquid Color clear colorless, BRN 1732026.
Deuterated iodomethane (CDI) is an isotope labeled compound in which the three hydrogen atoms of the methyl group in iodomethane (CH3) are replaced by deuterium atoms. As a key deuterted reagent, its unique isotope labeling properties make it irreplaceable in fields such as organic synthesis, drug development, nuclear magnetic resonance (NMR) analysis, metabolic tracking, and materials science.
1. Directional modification of complex molecular structures
Deuterated iodomethane can precisely modify specific sites in natural products or biologically active molecules. For example:
Peptide compound labeling: In the development of peptide drugs, deuterted iodomethane is used to methylate the amino groups of lysine side chains, generating deuterted labeled peptide segments for tracking the metabolic pathways of drugs in vivo.
Analysis of Carbohydrates: In the study of polysaccharide structure, deuterted iodomethane reacts with hydroxyl groups to form deuterted methyl ether, and the branching structure and connection mode of sugar chains are analyzed by NMR technology.
2. Tool compounds for studying reaction mechanisms
Deuterated iodomethane, as an isotope labeling reagent, can reveal the dynamic processes of organic reactions. For example:
Study on SN2 reaction kinetics: By reacting deuterted iodomethane with deuterted sodium alcoholate and monitoring the transfer rate of deuterted methyl using NMR, the configuration of the transition state of the reaction is verified.
Free radical reaction tracking: In photocatalytic reactions, the CD3 free radicals generated by the decomposition of deuterted iodomethane can be captured by NMR, clarifying the intermediate structure of free radical chain transfer.
1. Pharmacokinetic (ADME) studies
Deuterated iodomethane provides a key tool for pharmacokinetic studies by introducing deuterium atoms to alter drug metabolic pathways
Metabolite identification: In the deuterium modification of anti-tumor drug sorafenib, deuterted iodomethane replaces the methyl group on the benzene ring with CD3, generating deuterted sorafenib (donafenib). By comparing the metabolic profiles of deuterted and non deuterted drugs, it was found that deuteration significantly inhibited CYP3A4 enzyme mediated oxidative metabolism, extending the half-life of the drug from 4.8 hours to 9.2 hours.
Species difference analysis: In cross species pharmacokinetic comparisons, deuterted iodomethane labeled experimental drugs can distinguish whether metabolic differences are due to enzyme activity or transporter function, providing accurate data for preclinical studies.
2. Clinical translation of deuterated drugs
Deuteration technology promotes new drug development by optimizing pharmacokinetic properties:
Innovation of anti-tumor drugs: Donafenib, as the world's first approved deuterted anti-tumor drug, has a median overall survival of 12.1 months in the treatment of advanced hepatocellular carcinoma stage III clinical trials, significantly longer than sorafenib (10.3 months), and a 15% reduction in the incidence of grade 3 or above adverse reactions.
Breakthrough in the treatment of neurological diseases: deuterted butyrazine (Austedo) ®) By deuterium substitution, the half-life of the drug can be extended to 9-10 hours, reducing the number of daily doses for Huntington's disease patients from 3 to 2, and reducing the incidence of side effects such as depression and anxiety by 20%.
3. Drug toxicity assessment and attenuation design
Deuterated iodomethane can reveal the formation mechanism of toxic metabolites:
Antidepressant optimization: Paroxetine generates highly active carbene intermediates under the action of CYP2D6, leading to liver toxicity. Its deuterted derivative CTP-347 reduces carbene production by 80% by inhibiting CYP2D6 mediated oxidation, significantly reducing the risk of drug interactions.
Antibiotic metabolism research: In the development of fluoroquinolone antibiotics, deuterted iodomethane labeled test drugs can track the pathways of photosensitive metabolites and provide a basis for structural optimization.
Nuclear Magnetic Resonance (NMR) and Mass Spectrometry Analysis: High Precision Structural Analysis
1. Standard substances for NMR spectroscopy
Deuterated iodomethane-d3 as an NMR internal standard has the following advantages:
Chemical shift reference: In ¹ H NMR, the methyl signal of CD3 I is located at δ 2.1 ppm, which can be used as a chemical shift reference for solvent peaks (such as CDCl3) to improve the accuracy of spectral analysis.
Quantitative analysis tool: By calculating the molar ratio of deuterted iodomethane to the analyte, combined with the integral area, the compound concentration can be calculated with an error controlled within ± 1%.
2. Isotope Dilution Mass Spectrometry (IDMS)
Deuterated iodomethane as an isotopic internal standard for ultra trace analysis:
Environmental pollutant detection: In the GC-MS analysis of polychlorinated biphenyls (PCBs), the addition of isotopic internal standards labeled with deuterted iodomethane can correct matrix effects and reduce the detection limit to 0.01 ng/g.
Quantification of biological samples: In the determination of drug concentration in plasma, deuterted iodomethane labeled analogues are used as internal standards to eliminate differences in ionization efficiency and improve quantitative accuracy.
3. Dynamic nuclear polarization (DNP) enhanced NMR
Deuterated iodomethane combined with free radical polarizers can enhance NMR sensitivity:
Research on membrane protein structure: In DNP experiments, lipid molecules labeled with deuterted iodomethane interact with proteins, enhancing the signal by more than 100 times and shortening data acquisition time to the minute level.
Solid material characterization: In the ² ⁷ Al NMR analysis of battery electrode materials, deuterted iodomethane is used as a polarizing medium to reveal the local coordination environment of aluminum ions.
1. Preparation of Deuterated Polymers
Deuterated iodomethane is used for synthesizing special polymer materials:
Deuterted polyethylene: Through coordination polymerization induced by deuterted iodomethane, fully deuterted polyethylene (CD ₂ - CD ₂) ₙ is generated, with its infrared absorption peak shifting towards lower wave numbers, which can be used as a contrast agent in neutron scattering experiments.
Deuterted liquid crystal materials: Introducing CD3 groups into side chain liquid crystal molecules can adjust the phase transition temperature range and broaden the operating temperature range of liquid crystal displays.
2. Deuterated semiconductor materials
Deuterated iodomethane is used to prepare deuterated organic semiconductors:
Efficiency improvement of OLED devices: In deuterted Alq ∝ (tris (8-hydroxyquinoline) aluminum), after replacing the methyl group with CD3, the external quantum efficiency of the device increased from 5% to 7%, due to non radiative transitions suppressed by deuteration.
Perovskite solar cells: Deuterted iodomethane modified perovskite layers can reduce ion migration, extending device stability (T80) from 500 hours to 2000 hours.
1. Research on Protein Structure and Dynamics
Deuterated iodomethane for protein NMR research:
Deuterated methanol labeling method: Deuterted iodomethane reacts with methanol dehydrogenase to generate deuterted methanol (CD3 OH), which then labels protein methyl groups and analyzes protein dynamic conformational changes.
Membrane protein solution NMR: In detergent microspheres, lipid molecules labeled with deuterted iodomethane can reduce spectral line overlap and improve membrane protein signal resolution.
2. Metabolomics and discovery of disease biomarkers
Deuterated iodomethane as a metabolic flux analysis tool:
Cancer metabolic reprogramming study: Adding deuterted iodomethane labeled methanol to tumor cell culture medium, tracking the incorporation pathway of deuterted methyl through NMR, and revealing the dynamic process of lactate generation in the Warburg effect.
Diagnosis of neurodegenerative diseases: In the Alzheimer's disease model, deuterted iodomethane labeled cerebrospinal fluid metabolites can distinguish mild cognitive impairment from early dementia, with a diagnostic accuracy of 92%.
3. Biocatalysis and Enzyme Engineering
Deuterated iodomethane for enzyme reaction mechanism research:
Methyltransferase activity assay: Using deuterted iodomethane as the methyl donor, the transfer rate of deuterted methyl was monitored by NMR to quantitatively evaluate the enzyme catalytic efficiency (kcat/Km).
Enzyme inhibitor screening: In CYP450 enzyme inhibition experiments, substrates labeled with deuterted iodomethane can distinguish competitive inhibition from non competitive inhibition, guiding the optimization of inhibitor structure.
Iodomethane-d3 Researched by: BLOOM TECH
Remark: BLOOM TECH(Since 2008), ACHIEVE CHEM-TECH is the subsidiary of us.
Most deuterated iodomethane is prepared through the iodization reaction of deuterted methanol, and different synthesis methods can be used depending on the type of iodization reagent.
Method 1:
Slowly inject red phosphorus reagent (50.0 g, 1.6 mol), H2O (100 mL), and elemental iodine (250.0 g, 1.0 mol) into a dry 250 mL flask with a reflux condenser at -15 ° C for 0.5 hours. Then gradually add deuterted methanol (30.0 grams, 0.8 moles) to the reaction mixture. Heat the reaction mixture to 65 ℃ and continue stirring for about 2 hours. After the reaction, cool the reaction mixture to room temperature. Finally, distill the reaction mixture at 45 ℃ and collect the corresponding fractions to obtain the target product molecule D3 iodomethane.
Method 2:
Add deuterated methanol (CD3OD) (0.5 g, 1.13 mL, 0.0138 mol) to dry dichloromethane (10 mL) in a 20 mL round bottom flask. Then add TMSI (2.77 grams, 1.98 milliliters, 0.0138 moles) to the obtained reaction solution, and slowly stir the reaction mixture at 0 ℃ for several hours. Then transfer it to room temperature and stir the reaction mixture at room temperature for 8 hours. After the reaction is completed, there is no need for further purification. The deuterated iodomethane obtained from the reaction can be directly used for the next step of the reaction.
Hot Tags: iodomethane-d3 cas 865-50-9, suppliers, manufacturers, factory, wholesale, buy, price, bulk, for sale, Methylergonovine Maleate Salt CAS 57432 61 8, chondroitin sulfate powder, Camptothecin Powder CAS 7689 03 4, tetracaine hcl, isoflurane powder, cholesterol powder