Deuterated Compounds

Applications Used for preparation of uniformly Labelled 13C polychlorobiphenyl (PCB) standard. References McCurry, J.D., et al.: Anal. Chem., 58, 2785 (1986),

Applications Vardenafil oxopiperazine-D6 is a labelled analogue of Vardenafil oxopiperazine (V098030)

Applications 1-Bromoundecane-1,1,2,2-d4 (CAS# 1219802-82-0) is a useful isotopically labeled research compound.

Applications Dibromomethane-d2 is the labelled analogue of Dibromomethane (D425645), a compound used as a solvent, gauge fluid, and in organic synthesis. It is a convenient agent for converting catechols to their methylenedioxy- derivatives. References Podsiadlo M., et al.: Acta Cryst., B62, 1090 (2006);

Applications Anteisoheneicosanoic acid-d3 is labelled Anteisoheneicosanoic acid which is used in cosmetics as it allows hair fiber to lie flat and parallel with respect to each other while its removal formed coarse tangled bundles, aligned in disorderly manner. References Tanamachi, H., et al.: J. Cosmetic Sci., 61, 147 (2010); Breakspear, S., et al.: PMSE Preprints, 90, 276 (2004)

Applications Dibutyl Phenyl Phosphate-d5 is the deuterated form of Dibutyl Phenyl Phosphate (D429478), which is a phosphorus flame retardant additive. References Sundkvist, A. M., et al.: Environ Monit Assess., 12, 943 (2010),

Applications Cycrimine Hydrochloride-d5 is the isotope labelled analog of Cycrimine Hydrochloride (C991450); a cholinolytic anti-Parkinson drug which can cause neuromuscular blockades in isolated rat diaphragms. References Das, M., et al.: Toxicol. Appl. Pharm., 39, 149 (1977); Vedasiromoni, J.R., et al.: Arch. Int. Pharmacod. T., 219, 64 (1976)

Applications Cefathiamidine-d14 is an isotope labelled antibacterial agent that exhibits a broad spectrum of bactericidal activity against gram-positive bacteria. References Chen, H.Y., et al.: J. Antimicrob. Chemother., 12, 19 (1983); Philpott-Howard, J., et al.: Scand. J. Infect. Dis. Suppl., 39, 109 (1983); Chen, H.Y., et al.: J. Med. Microbiol., 23, 141 (1987);

Applications 3-Ethoxyacrylic Acid Ethyl Ester-13C2 is an intermediate used in the synthesis of 2-Chloro-5-thiazolecarboxylic Acid-13C3,15N (C411468), which is an isotopically labeled analog of 2-Chloro-5-thiazolecarboxylic Acid (C411465), which was studied as one of the metabolites of thiamethoxam, clothianidin, and dinotefuran in mice. References Ford, K., et al.: Chem. Res. Toxicol., 19, 1549 (2006);

Applications 4-Dimethylaminobutyric Acid Hydrochloride-d6 is an intermediate in synthesizing 4-​(Dimethyloxidoamino)​butanoic Acid-d6 Hydrochloride (D447162), which is a labelled form of 4-​(Dimethyloxidoamino)​butanoic Acid (D447160). 4-​(Dimethyloxidoamino)​butanoic Acid is a metabolite of Lauramine Oxide (L178530), which is a frequently used amine oxide surfactant. It is strongly hydrophilic , and it forms normal micelles and normal liquid crystalline phases. 4-Dimethylaminobutyric Acid Hydrochloride-d6 is also a labelled analogue of 4-Dimethylaminobutyric Acid Hydrochloride (D456545), which acts as a reagent for the design, synthesis and in the biological evaluation of novel water-soluble prodrug of Docetaxel with amino acid as linkers. References Kocherbitov, v., et al.: J. Molec. Struct.: Theochem., 808, 111 (2007); Kocherbitov, v., et al.: J. Phys. Chem. B., 110 (27), 13649 (2006); Turan, T.S., et al.: Xenobiotica, 11, 447 (1981); Ma, H., et al.: Chem. Biol. Drug Des. 88, 363 (2016);

Applications N-Butyrylglycine-2,2-d2 (CAS# 1219799-10-6) is a useful isotopically labeled research compound.

Applications 1,10-Decanedioic-2,2,9,9-d4 Acid (CAS# 339080-77-2) is a useful isotopically labeled research compound.

Applications Ethylene Urea-d4 (cas# 62740-68-5) is a compound useful in organic synthesis.

Applications Labelled analogue of Phthalic Acid Anhydride, an organic reagent used to synthesize phthalates.

Applications Unlabeled 3,3'-Dibromodiphenyl-d8 is used in the synthesis of novel aromatic compounds as electroluminescent materials and organic semiconductor materials for organic light emitting devices. References Ham, H.; et al.: PCT Int. Appl. 64pp. Patent 2016 CODEN:PIXXD2

Stability Hygroscopic Applications Labelled N-Nitrosopiperazine (N545350). A carcinogenic nitrosocompound. References Wong, H., et al.: Carcinogenesis, 24, 291 (2003), Gonzalez-Mancebo, S., et al.: Mutat. Res., 558, 45 (2004), Gonzalez, M., et al.: Bioorg. Med. Chem., 13, 601 (2005),

Applications Labelled 2-Nitro-p-anisidine (N491800). Toxic to some wild and domestic birds and mice. Molluscicidal activity References De Abreu, F. et al.; Bioorg. Med. Chem. 9, 659 (2001); Schafer, E.W. et al.; Arch. Environ. Con. Tox. 14, 111 (1985); Schafer, E.W. et al.; Arch. Environ. Con. Tox. 12, 355 (1983)

Applications 2-Butoxyethanol-d4 is the isotope labelled analog of 2-Butoxyethanol; a reagent in the synthesis of 4-butoxyethoxy-N-octadecyl-1,8-naphthalimide as a new fluorescent probe for the determination of proteins. Also used as a reagent in the synthesis of 4-hydroxybenzaldehyde derivatives as tyrosinase inhibitors. References Sun, Y., et al.: Bioorg. Med. Chem. Lett., 21, 3798 (2011); Yi, W., et al.: Eur. J. Med. Chem., 45, 639 (2010)

Applications Theobromine-d3 (7-methyl-d3) is deuterium labelled theobromine, which is a metabolite of caffeine. References Suto, M., et al.: Anticancer Drug Des., 6, 107 (1991); Burkart, V., et al.: Nat. Med., 5, 314 (1999); Hassa, P., et al.: J. Biol. Chem., 278, 45145 2003); Veres, B., et al.: J. Pharmacol. Exp. Ther., 310, 247 (2004)

Applications N,N'-Bis(3-aminopropyl-d6)-1,3-propanediamine (CAS# 1219804-74-6) is a useful isotopically labeled research compound.

Applications DL-4-Hydroxyphenyl-d4-alanine-2,3,3-d3 (CAS# 402835-78-3) is a useful isotopically labeled research compound.

Applications 4-Bromochlorobenzene-d4 (CAS# 134415-42-2) is a useful isotopically labeled research compound.

Applications Testosterone Laurate-d23 is the isotopic analog of Testosterone Laurate. Testosterone Laurate is a derivative of testosterone(T155000), which is used in analytical studies to determine testosterone and nandrolone esters in race horse plasma for doping control through UPLC-ESI-MS-MS. References You, Y., et al.: J. Chromato., 1218, 3982 (2011); Guan, F., et al.: Mass Spectrom., 45, 1270 (2010)

Applications Product of smoking tobacco Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package References Benigni, R., et al.: Env. Mol. Mutagen., 48, 754 (2007), Shin, H., et al.: Food Chem. Toxicol., 47, 192 (2009),

Applications Cyclopropane-1,2,2,3,3-d5-carbonyl chloride is a useful building block for organic synthesis

Applications 6-Nitro-1-pyrenol is a urinary hydroxylated metabolites used as a biomarkers of exposure of polycyclic aromatic hydrocarbons. This is the labeled analog. References Toriba, A., et al.: J. Health. Sci., 53; 631 (2007); Chae, Y.H., et al.: Cancer Res., 59, 1473 (1999);

Applications Homotaurine-d6 is the isotope labelled analog of Homotaurine (H656200). Homotaurine is an important GABA mimetic agent. It evokes neurological responses similar to those elicited by g-aminobutyric acid. References Riv. Farmacol. Ter., 7, 155 (1976), Neuropharmacology, 17, 13 (1978), Br. J. Pharmacol., 59 373 (1977)

Applications 4-Fluorotoluene-alpha-d1 (CAS# 131088-90-9) is a useful isotopically labeled research compound. This compound can be used in to detect isotopic effects, and can be detected using NMR spectroscopy. References Langen, H.,et.al., Z. Naturforsch.A., 46,1123-1130,(1991); Holland, H., et.al., J.Chem.Soc. Perkin Trans.1., 36,1107-1165,(2008);

Applications 2-Nitrotoluene-3,4,5,6-d4 (CAS# 115049-76-8) is a useful isotopically labeled research compound.

Applications Tetradecanoic-14,14,14-d3 Acid (CAS# 62217-71-4) is a useful isotopically labeled research compound.

Applications 1,2-Cyclohexanedione-d4 is the isotope labelled analog of 1,2-Cyclohexanedione (C988085), a compound used as a substrate to study enzyme cyclohexane-1,2-dione hydrolase as a new tool to degrade alicyclic compounds. References Fraas, S., et al.: J. Molec. Cataly. B. Enzy., 61, 47 (2009); Steinbach, A., et al.: FEBS. J., 279, 1209 (2012);

Applications Pentadecafluorooctanoic Acid-13C is an isotopomeric compound of Pentadecafluorooctanoic Acid (P268100). Pentadecafluorooctanoic Acid is used to produce fluoropolymers. It also exhibits a long half-life in human blood and interferes with the binding between liver-fatty acid binding protein and fatty acids. References Biegel, L. B., et al.: Toxicol. Sci 60, 44 (2001); Luebker, D. J., et al.: Toxicology 176, 175 (2002); Butenhoff, J., et al.: Toxicol. Sci 60, 44 (2002)

Applications Labelled (R)-tert-Butyl 2-(tert-Butoxycarbonylamino)-5-oxo-5-phenylpentanoate is used in inhibition studies relating to elucidating the mechanism for carbapenam synthetase. Also used in the synthesis of sphingosine 1-phosphate receptor antagonists in the treatment of multiple sclerosis References Gerratana, B. et al.: Biochem., 42, 7836 (2003); Ibrahim, M. et al.: J. Med. Chem., 55, 1368 (2012);

Applications 1-Bromooctadecane-18,18,18-d3 (CAS# 349553-85-1) is a useful isotopically labeled research compound.

Applications Phenylglyoxylic Acid-d5 (cas# 1217089-53-6) is a compound useful in organic synthesis.

Applications 1-Bromopentadecane-d31 (CAS# 349553-93-1) is a useful isotopically labeled research compound.

Applications 1-Bromohexane-4,4,5,5,6,6,6-d7 (CAS# 1276197-43-3) is a useful isotopically labeled research compound.

Applications Ademethionine-d3 1,4-Butanedisulfonate, is a labeled analogue of Ademethionine 1,4-Butanedisulfonate (A280355), used in the synthesis of sulfonio-adenosyl-L-methionine (SAMe) salts.

Applications Advantame-D3 is a labelled analogue of Advantame (A307000(M)), which is a combination of Aspartame (A790015) and Vanillin (V097500). Advantame was developed as a high-intensity, low calorie sweetener that is 20,000 times sweeter than sucrose. References Bloomgarden, Z.: Diabetes Care, 34, e46 (2011); Otabe, A., et al.: Food Chem. Toxicol., 49, S49 (2011); Renwick, A.: Food Chem. Toxicol., 49, S1 (2011)

Applications Dexamethasone Hemisuccinate-d4 is the isotope labelled analog of Dexamethasone Hemisuccinate (D298855); a derivative of Dexamethasone (D298800) which is a glucocorticoid used as an anti-inflammatory agent. It regulates T cell survival, growth, and differentiation. Dexamethasone also inhibits the induction of nitric oxide synthase. References Wershil, B.K., et al.: Int. Arch. Allergy Immunol., 107, 323 (1995); Riccardi, C., et al.: Cell Death Diff., 6, 1182 (1999); Llanos, S.L. and Roldan, A.: Bio Cell, 23, 29 (1999)

Applications (Z)-2-(Methoxyimino)-3-oxobutanoic Acid-d3 Methyl Ester (cas# 1331636-65-7) is a compound useful in organic synthesis.

Applications Adenose N-Oxide and its derivatives are used as an active ingredient in the preparation of therapeutic agents for inflammatory diseases and inhibitors of adenosine kinase. References Long, M. & Parker, W.: Biochem. Pharmacol., 71, 1671 (2006)

Applications Diethylamine-13C4 Hydrochloride is the labelled salt of Diethylamine (D443485).

Stability Hygroscopic Applications Labelled 1,4-Dinitrosopiperazine. N,N'-Dinitrosopiperazine (DNP) induces nasopharyngeal carcinoma (NPC) and shows organ specificity to the nasopharyneal epithelium. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package References Lanier, A., et al.: Cancer, 46, 2100 (1980), Waalkes, M., et al.: Carcinogenesis, 25, 133 (2004), Toth, E., et al.: Int. J. Cancer, 121, 1744 (2007),

Applications N-Methyl-o-phenylenediamine-d3, Dihydrochloride (cas# 1246820-22-3) is a compound useful in organic synthesis.

Applications 2-Ethyl-1-hexanol-D5 is an intermediate in the synthesis of Alexidine-d10 Dihydrochloride (A525002), which has antibacterial, antiplaque properties against Streptococcus mutans, Actinomyces ciscosus, and Actinomyces naesludii. References Coburn, R.A., et al.: J. Med. Chem., 21, 8, 829 (1978), Takayama, K., et al.: J. Biol. Chem., 269, 2241 (1994), Faure, P., et al.: Biochimie, 86, 411 (2004),

Applications 1-Butan-1,1-d2-ol is the deuterium labeled version of 1-Butanol (B690045). It can be used in the synthesis of more complex isotope labeled compounds. References Sharma, Shikha, et al.: J. of Radioanaly. and Nuc. Chem., 302(1), 583-591 (2014);Hirsekorn, Kurt F., et al.: J. of the Ame. Chem. Soc., 127(13), 4809-4830 (2005)

Applications Catechol-d4 (cas# 103963-58-2) is a compound useful in organic synthesis. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package

Applications Deoxybenzoin Oxime-15N (cas# 1185237-85-7) is a compound useful in organic synthesis.

Halobetasol propionate-d5 is a steroid that is used to treat asthma. It is available as an inhalant, which is delivered directly into the lungs. When used in conjunction with another medication, such as salmeterol, it can help to reduce symptoms of asthma. Halobetasol propionate-d5 has been shown to be a potent anti-inflammatory agent that suppresses the inflammation of the airways and prevents asthma symptom. The drug does not have any negative side effects on lung function or respiratory muscles.

Applications Morpholine-d8 Hydrochloride is used as a reactant in the synthesis of Moclobemide-d8 (M481002), the labeled analogue of Moclobemide (M481000), a reversible monoamine oxidase inhibitor. References Wiesel, F.A., et al.: Eur. J. Clin. Pharmacol., 28, 89 (1985), Burkard, W.P., et al.: J. Pharmacol. Exp. Ther., 248, 391 (1989)

Applications Ethylmethyl-d3-amine (CAS# 223459-64-1) is a useful isotopically labeled research compound.

Applications L-4-Hydroxyphenyl-3,5-d2-alanine (CAS# 30811-19-9) is a useful isotopically labeled research compound.

Applications 1,10-Dibromodecane-d20 (CAS# 150017-88-2) is a useful isotopically labeled research compound.

Applications (S)-Isopropyl-2-aminopropanoate-d7 Hydrochloride is an intermediate in the synthesis of Desphenyl Tenofovir Alafenamide-d7 Ammonium Salt (D297044). Desphenyl Tenofovir Alafenamide-d7 Ammonium Salt is labeled form of Desphenyl Tenofovir Alafenamide (D297043), which belongs to a group of tenofovir diesters compounds, which can inhibit HIV-1 virus replication. Desphenyl Tenofovir Alafenamide can also be used to investigate the effect of oral absorption and lymphoid cell loading of GS-7340 (a prodrug of tenofovir). (S)-Isopropyl-2-aminopropanoate-d7 Hydrochloride is also the labelled form of (S)-Isopropyl-2-aminopropanoate Hydrochloride (I822220), which is a chemical reagent used in the synthesis of anti-HCV prodrugs based on imidazotriazine and pyrrolotriazine molecules. References You, G., et al.: PCT Int. Appl. WO 2014026582 A1 2014022 (2014); Babusis, D., et al.: Mol. Pharm. 10, 459 (2013); Tyndall, E. Bioorg. Med. Chem. Lett., 25, 869 (2015)

Applications One of the vitamins of the B6 complex; present in many foodstuffs (yeast, liver and cereals). It has a role in transporting protein Bsu1, contributes to thiamine uptake; characterization of thiamine (vitamin B1) transporter Thi9 from Schizosaccharomyces pombe. References Williams, R., et al.: J. Biol. Chem., 87, 581 (1930), Rodionov, D., et al.: J. Biol. Chem., 277, 48949 (2002),Nosaka, K., et al.: Mol. Microbiol., 58, 467 (2005),

Applications n-Eicosanyl-d41 Alcohol (CAS# 349553-89-5) is a useful isotopically labeled research compound.

Applications Isotope labelled Trimethylsilyl Cyanide (T796750) is used as a reagent in the synthesis of optically active cyanohydrins. Used in the preparation of Reissert compounds, which represent reactive polyamides. Toxic to humans. References Roberge, C. et al.: Tetrahedron Asymm., 18, 208 (2007); Jois, Y. et al.: Macromol., 26, 6151 (1993); Lumor, S. et al.: J. Food. Sci., 76, T16 (2011);

Stability Hygroscopic Applications Guaiacol-beta-D-gentiobioside-d3, is the labeled analogue of Guaiacol-beta-D-gentiobioside (G245570), a Guaiacol Conjugate, that has shown to present in fermentation of grapes that had been exposed to bushfire smoke and can potentially yield unpalatable, smoke-affected wine. References Hayasaka, Y.m et al.: J. Arg. Food Chem., Vol. 58, Issue 4, P: 2076; 2081 (2010);

Applications 3-Pyridylacetic-alpha,alpha-d2 Acid-OD DCl (CAS# 1219802-37-5) is a useful isotopically labeled research compound. Chemical Name: 3-Pyridylacetic-alpha,alpha-d2 Acid-OD DCl (CAS# 1219802-37-5) is a useful isotopically labeled research compound.

Applications [4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methylsulfinyl)-5-pyrimidinyl]-ethyl Ester-d6 (cas# 1189487-47-5) is a compound useful in organic synthesis.

Applications Cyclopropane-1-d1-carboxylic Acid (CAS# 19136-94-8) is a useful isotopically labeled research compound.

Applications n-Pentyl Alcohol-d12 (CAS# 158778-85-9) is a useful isotopically labeled research compound.

Applications Dimethyl-d6 Carbonate is the labeled analogue of Dimethyl Carbonate (D446705), which is used in the synthesis of phosphine-boranes in the preparation of new bidentate ligands. Also used in the synthesis of flavonoid analogs. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package References Imamoto, T. et al.: J. Am. Chem. Soc., 112, 5244 (1990); Cushman, M. et al.: J. Med. Chem., 34, 798 (1991)

Applications α-Tetralone-13C6 (cas# 189811-58-3) is a compound useful in organic synthesis.

Applications Isotope labelled Nitrobenzene (N493000), used mainly in the production of the chemical precursor aniline as well as in azobenzene synthesis (1). Also may be reduced through magnetic iron oxide nanocrystals (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package References 1. Yadav, G. et al.: Chem. Eng. J. 2013 Aug:221(1) pp500-5112. Cantillo, D. et al.: J. Org. Chem. 2013 May 3;78(9):4530-42.

Applications Deuterated Aminopentane. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package