Deuterated Compounds

Applications 1-Bromodecane-d21 (CAS# 98195-39-2) is a useful isotopically labeled research compound.

Applications N2-Acetyl Acyclovir-d4 is the isotope labelled analog of N2-Acetyl Acyclovir (A168015); an impurity of Acyclovir (A192400) which is an orally active acyclic nucleoside with inhibitory activity towards several herpes viruses. Also an antiviral.
References Collins, P., et al.: J. Antimicrob. Chemother., 5, 431 (1979); Matsumoto, H., et al.: Chem. Pharm. Bull., 36, 1153 (1988); Whitley, R.J., et al.: N. Engl. J. Med., 327, 782 (1992)

Applications Sodium Propionate-3,3,3-d3 (CAS# 1210410-35-7) is a useful isotopically labeled research compound. This compound can be used to demonstrate intereactions between ergosterol and amphotericin B in lipid bilayers using NMR spectroscopy to exert antifungal activity.
References Matsumori, N.,et.al., J.Am.Chem.Soc., 131,11855-11860,(2009);

Applications 2-Aminofluorene-d11 (CAS# 347841-44-5) is a useful isotopically labeled research compound.

Applications 21-(3-Carboxy-1-oxopropoxy)-17-hydroxy-pregn-4-ene-3,20-dione-d4 Monosodium Salt is deuterium labelled 21-(3-Carboxy-1-oxopropoxy)-17-hydroxy-pregn-4-ene-3,20-dione Monosodium Salt (a derivative of Cortisol) and exhibits multi-site antiglucocorticoid activity in vivo.
References Duncan, M. R. and Duncan, G. R. J. Steroid Biochem. 10, 245 (1979)

Applications Bis(3-methylpentyl) Phthalate-d4, is the labeled analogue of Bis(3-methylpentyl) Phthalate (B486010), used as a plasticizer to impart softness and flexibility to PVC products.
References Pierson, J. F., et al.: Angewandte Makromolekulare Chemie, 38, 167 (1979); Kaya, T., et al.: Chem. Res. Toxic., 19 (8), 999 (2006); Matter, H., et al.: Bioorg. Med. Chem., 20 (18), 5352 (2012);

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

Applications 1-Bromoeicosane-d41 (CAS# 202480-71-5) is a useful isotopically labeled research compound.

Applications Labelled Vanillin. Occurs naturally in a wide variety of foods and plants such as orchids; major commercial source of natural vanillin is from vanilla bean extract. Synthetically produced in-bulk from lignin-based byproduct of paper processes or from guaicol.
References Jenner, P.M., et al.: Food Cosmet. Toxicol., 2, 327 (1964), Clark, G.S., et al.: Perfum. Flavor., 15, 45 (1990),

Applications n-Hexadecyl-d33 Alcohol (CAS# 284474-73-3) is a useful isotopically labeled research compound.

Applications O-Toluoyl Chloride-D7 is the deuterated form of O-Toluoyl Chloride (T536250), which is used in the synthesis if quinolinone compounds as SARS CoV 3CLpro inhibitors. Also used in the synthesis of benzooxaboroles as orally active anti-inflammatory agents.
References Sun, Y. et al.: Chin. J. CHem., 31, 1199 (2013); Akama, T. et al.: Bioorg. Med. Chem. Lett., 23, 5870 (2013);

Applications Ditridecyl Adipate-d8 is the isotope labelled analog of Ditridecyl Adipate (D494195); a compound used as a skin conditioning or fragrance ingredient, plasticizer, solvent or emollient in cosmetics. Also used in combination with other compounds as a finisher for texturing of polyester yarns.
References Fiume, M.M., et al.: Int. J. Toxicol., 31, 5S (2012); Burks, P.P., et al. Finish Composition for Draw-texturing Yarn. US 3859122 A 19750107. Jan 7, 1975

Applications Ethyl-d5 4-Aminobenzoate (CAS# 1219803-76-5) is a useful isotopically labeled research compound.

Applications Propionic Acid (1-13c, 99%) (cas# 6212-69-7) is a useful research chemical.

Applications 5-(4-Hydroxyphenyl)-5-phenyl-d5-hydantoin-15N2 (CAS# 369656-71-3) is a useful isotopically labeled research compound.

Applications 1-Aminonaphthalene-d9 (CAS# 78832-56-1) is a useful isotopically labeled research compound.

Applications n-Dodecyl Alcohol-d26 (CAS# 38086-03-2) is a useful isotopically labeled research compound. It can be used for neutron spin-echo spectroscopy.
References Yamaguchi, T., et.al., J. Phys.Chem.B., 123, 239-246,(2019);

Applications rac Desethyl Phenyl Oxybutynin-d5 is an intermediate in the synthesis of rac Desethyl Oxybutynin-d5 Hydrochloride (D289478), a labelled metabolite of the drug Oxybutynin (D289475). Used in the treatment of incontinence.
References Hughes, K., et al.: Xenobiotica, 22, 859 (1992); Oki, T., et al.: Biol. Pharm. Bull., 24, 491 (2001); Fetscher, C., et al.: Br. J. Pharmacol., 136, 64 (2002); Zobrist, R., et al.: Pharm. Res., 20, 103 (2003)

Applications 1,4-Diethylbenzene-d14 (CAS# 1219803-64-1) is a useful isotopically labeled research compound.

Applications 1-Bromo-3-chloro-5-fluorobenzene-d3 (CAS# 1219805-00-1) is a useful isotopically labeled research compound.

Applications (R)-(-)-Phenylephrine-2,4,6-d3 HCl (CAS# 1276197-50-2) is a useful isotopically labeled research compound.

Applications N-4-Hydroxyphenyl-N'-1,2,3-thiadiazol-5-ylurea-d4 is labelled N-4-Hydroxyphenyl-N'-1,2,3-thiadiazol-5-ylurea (H949385) which is a substrate of cytokinin O-glucosyltransferase with position specificity related to receptor recognition. It is a metabolite of Thidiazuron (T344275) which is a non-purine containing urea derivative with cytokinin activity.
References Mok, M., et al.: Plant Physio., 137, 1057(2005); Benezet, H., et al.: Trans. Missouri Academy. Sci., 14, 75 (1980); Orlikowska, T., et al.: Plant Cell Tissue Org. Cult., 59, 95 (1999), Ray, T., et al.: Mol. Biol., 6, 35 (2005), Kanwar, J., et al.: Hort Sci., 2008, 35, 35 (2008),

Applications Pinacol-d12 is an intermediate in the synthesis of Isotope labelled Tebuconazole (T013002), which is an ergosterol biosynthesis inhibitor present in most pesticide formulations (1,2). Various uptake is observed in plants (3). Drinking water Contaminant Candidate List 3 - CCL 3 as per United States Environmental Protection Agency (EPA). Environmental contaminants; Food contaminants.

Applications 1,2,4,5-Tetramethylbenzene-d14 (CAS# 15502-50-8) is a useful isotopically labeled research compound.

Applications 1-(3,5-Diacetoxyphenyl)-1-bromoethane-13C6, is the labeled analogue of 1-(3,5-Diacetoxyphenyl)-1-bromoethane (D307562), which is an intermediate for the synthesis of Resveratrol (R150000).
References Powell, R.G., et al.: Phytochemistry, 35, 335 (1994), Jeandet, P., et al.: J. Phytopathol., 143, 135 (1995), Mattivi, F., et al.: J. Agric. Food Chem., 43, 1820 (1995),

Applications 2,3,6-Trimethylphenol-d11 (CAS# 347841-83-2) is a useful isotopically labeled research compound.

Applications Acetylcholine-1,1,2,2-d4 Bromide is the deuterium labelled form of Acetylcholine Bromide (A172073), which is an endogenous neurotransmitter at cholinergic synapses.
References Kobayashi, M., et al.: Adv. Physiol. Sci., 22, 319 (1981); Hulme, C., et al.: Biophys. J., 91, 2371 (2006);

Applications Phthalic-13C Acid is an isotope labelled version of Phthalic Acid (P384480), an organic reagent used to synthesize phthalates.
References Duchowicz, P.R., et al.: Bioorg. Med. Chem., 16, 7944 (2008);di Luccio, E., et al.: Biochem., 47, 4039 (2008);Lopez, Z., et al.: App. Microbiol. Biotechnol., 78, 739 (2008);Hong, Y., et al.: Toxicol. Lett., 184, 139 (2009)

Applications Isotope labelled Propyl Paraben Sulfate (P838355) is the sulfate conjugate of Propyl Paraben (P838285), an antimicrobial agent used in cosmetic products.
References Kim, D.H., et al.: Biol. Pharma. Bull., 17, 1326 (1994);

Applications It is a stable isotopically labelled analog of Tasimelteon (T007740) which is a novel drug, used in the treatment of non-24 hour sleep-wake disorder. It helps to correct the circadian rhythm disorder often seen in patients who are visually impaired.
References Lahon, J. et al.: World. J. Pharm. Res., 3, 1521 (2014)

Applications Ammonium Formate-d5 (CAS# 65387-23-7) is a useful isotopically labeled research compound.

Applications Benzene-1,2,3,5-d4 (CAS# 14941-52-7) is a useful isotopically labeled research compound.

Applications Iodoacetic Acid-d3 (CAS# 1219799-36-6) is a useful isotopically labeled research compound.

Applications Tetracosanoic-12,12,13,13-d4 Acid (CAS# 1219794-59-8) is a useful isotopically labeled research compound.

Applications N-Acetylglycine-13C2,15N is a labelled derivative of N-Acetylglycine (A178260(P)), which is a derivative of Glycine (G615990). Glycine is a useful intermediate for synthesizing rac 3-O-Methyl DOPA (M303805), which is an impurity of Levodopa.
References Tabar, et al.: Pharmacol. Biochem. Behav., 33, 139 (1989), De Souza Silva, et al.: J. Neurochem., 68, 233 (1997), Feigin, A., et al.: Neurology, 57, 2083 (2001), Perera, A., et al.: J. Labelled Comp. Radiopharm., 46, 389 (2003)

Applications Adenosine-2-d1 (CAS# 109923-50-4) is a useful isotopically labeled research compound.

Applications Dicyclohexyl Carbonate-d22 is the isotope labelled analog of Dicyclohexyl Carbonate (D438505); a reagent in the synthesis of colon specific reduction sensitive polymers for pharmaceuticals.
References Schacht, E. and Wilding, I.: PCT Int. Appl. WO 9610994 A1 19960418. Apr 18, 1996

Applications Hexanenitrile-6,6,6-d3 (CAS# 1219805-03-4) is a useful isotopically labeled research compound.

Applications Labelled Trimethylsulfoxonium Iodide (T797500). Used to synthesize methylene-transfer reagents that are used in the preparation of epoxides.
References Bravo, P. et al.: Gaz. Chim. Ital., 11, 501 (1986); Okuma, K. et al.: Fuk. Daig. Rig. Shuho, 20, 83 (1990)

Applications 1,4-Di(methyl-d3)-naphthalene has been used in the preparation of di(trideuteriomethyl)naphthalene derivatives. 1,4-Di(methyl-d3)-naphthalene is a labeled analogue of 1,4-Dimethylnaphthalene (D476380), a polycyclic aromatic hydrocarbon (PAH) that has been found to retard the development of epidermoid carcinomas in hamster buccal pouch and alter the genes associated with the maintenance of a G1/S phase block possibly through the induction of the cell cycle inhibitors KRP1 and KRP2 in potatoes.
References Dizabo, P., et. al.: J. Labelled Compd., 2, 272 (1966); Malament, D.S., Shklar, G.: Carcinogenesis, 2, 723 (1981); Campbell, M.A., et. al.: Fuct. Interg. Genomics, 12, 533 (2012); Andrysik, Z., et. al.: Mutat. Res-Fund. Mol. M., 714, 53 (2011)

Applications (±)-2-Chlorobutane-d9 (CAS# 175540-77-9) is a useful isotopically labeled research compound.

Applications Ethylene Glycol Dilaurate-d4 is a deuterated version of Ethylene Glycol Dilaurate (E917476), a pearling agents for cosmetics.
References Onozaki, T., et al.: Journal of SCCJ, 15, 38-44 (1981)

Applications Tridecanoic-2,2-d2 Acid (CAS# 64118-44-1) is a useful isotopically labeled research compound.

Applications o-Tolyl-d7 Isocyanate (CAS# 1219802-73-9) is a useful isotopically labeled research compound.

Applications Ethyl 2-Bromo-2-methyl-d3-propionate-3,3,3-d3 (CAS# 64768-38-3) is a useful isotopically labeled research compound.

Applications 1,3-Diethylbenzene-d14 (CAS# 1219803-40-3) is a useful isotopically labeled research compound.

Applications Diethyl Oxalacetate-13C4 is an intermediate used in the synthesis of (O845032), which is labelled form of Oxaloacetic Acid (O845030) which is a four carbon dicarboxylic acid that is an intermediate in the citric acid cycle and glucogenesis. It has been shown to inhibit succinate dehydrogenase.
References Zeylemaker, W.P. et al.: Biochim. Biophys. Acta Enzymol., 132, 210 (1967); Dalla-Betta, P. et al.: Int. J. Mol. Sci., 10, 2809 (2009);

Applications 1,3-Di-iso-propylbenzene-d18 (CAS# 1398065-59-2) is a useful isotopically labeled research compound.

Applications 4-Cholesten-3-one-3,4-13C2 (CAS# 82938-09-8) is a useful isotopically labeled research compound.

Applications Ethyl 4-Isocyanatobenzoate-2,3,5,6-d4 (CAS# 1219802-91-1) is a useful isotopically labeled research compound.

Applications Glyceryl-d5 Trioctadecanoate (CAS# 55256-03-6) is a useful isotopically labeled research compound.

Stability Hygroscopic
Applications Eprinomectin-13CD3 is an isotopic analog of Eprinomectin (E590050), a mixture of semi-synthetic Avermectins.
References Jones, T.K., et al.: J. Agric. Food Chem., 42, 1786 (1994), Arena, J.P., et al.: J. Parasitol., 81, 286 (1995),

Applications 4-Fluorobenzyl-d6 Chloride (CAS# 1219804-13-3) is a useful isotopically labeled research compound.

Applications Chlorobenzene-3,4,5-d3 (CAS# 59164-11-3) is a useful isotopically labeled research compound.

Applications 2-Ethyl-3,4,5,6-tetrahydropyridine Hydrochloride-d3 is the isotope labelled analog of 2-Ethyl-3,4,5,6-tetrahydropyridine Hydrochloride (E926330); a compound that is produced by lactic acid bacteria (LAB) and can cause mousy off-flavor in wines.
References Snowdon, E.M., et al.: J. Agr. Food Chem., 54, 6465 (2006); Costello, P.J., et al.: J. Agr. Food Chem., 50, 7079 (2002); Craig, J.T., et al.: Am. J. Enol. Viticult., 35, 46 (1984)

Applications Methocarbamol-d3is deuterium labelled methocarbamol (M225950), which is a muscle relaxant (skeletal).
References Topliss, J., et al.: J. Med. Chem., 22, 1238 (1979), Walters, W., et al.: Drug Discov. Today., 3, 160 (1998), Baldi, P., et al.: Bioinformatics, 16, 412 (2000), Kouznetsov, V., et al.: J. Arch. Pharm., 337, 127 (2004),

Applications 2-Phenylpropane-d12 (CAS# 97732-82-6) is a useful isotopically labeled research compound.
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 Labelled Lactose Monohydrate (L114000), which is used in the synthesis of casing for various methods of oral drug delivery, including dissolving pellets, and long-lasting pellets.
References Kamble, M. et al.: Int. J. Pharm. Chem. Biol. Sci., 3, 55 (2013); Hiorth, M. et al.: Int. J. Pharm., 441, 544 (2013);

Applications 1-Iodooctane-1,1-d2 (CAS# 89232-08-6) is a useful isotopically labeled research compound.

Applications 3-Chlorotoluene-2,4,6-d3 (CAS# 1219803-79-8) is a useful isotopically labeled research compound.

Applications p-​Tolunitrile-d7 is an isotopic analog of p-​Tolunitrile (T536235), a reagent used in the preparation of 1H-Indazoles from imidates and nitrosobenzenes.
References Wang, Q. et al.: Org. Lett., 18, 2102 (2016);

Applications 4,6-Dichloro-1,3-dinitrobenzene-13C6 (CAS# 335081-12-4) is a useful isotopically labeled research compound.

Applications DL-Alanine-2-d1 (CAS# 31024-91-6) is a useful isotopically labeled research compound.

Applications Ethylene Glycol Dipalmitate-d4 is the deuterated version of Ethylene Glycol Dipalmitate (E917565), a component of phase change materials for thermal energy storage.
References Aydin, Ahmet A.: Solar Energy Mat. & Solar Cells, 108, 98-104 (2013)

Stability Moisture Sensitive
Applications Isotope labelled Allyl Bromide is used as a reagent in the synthesis of Resveratrol derivatives. Resveratrol (R150000) is a minor constituent of wine, correlated with serum lipid reduction and inhibition of platelet aggregation. Resveratrol is a specific inhibitor of COX-1, and it also inhibits the hydroperoxidase activity of COX-1. It has been shown to inhibit events associated with tumor initiation, promotion and progression.
E0
References Powell, R.G., et al.: Phytochemistry, 35, 335 (1994), Jeandet, P., et al.: J. Phytopathol., 143, 135 (1995), Mattivi, F., et al.: J. Agric. Food Chem., 43, 1820 (1995); Mulakayala, C. et al.: J. Mol. Graph. Model., 41, 43 (2013);

Applications 4-Chlorophenyl Phenyl-d5 Ether (CAS# 93951-85-0) is a useful isotopically labeled research compound.