Deuterated Compounds

Applications Isotope labelled β-Alanine is a naturally occurring beta amino acid. β-Alanine is formed in vivo by the degradation of dihydrouracil (D449990) and carnosine. β-Alanine is also the rate-limiting precursor of carnosine, as a result supplementation with β-alanine increases the concentration of carnosine in muscles.

Applications A labelled metabolite of Di-n-pentyl phthalate (DPP), used mainly as a plasticizer in nitrocellulose.
References Schmid, P., et al.: Xenobiotica, 1985, 15, 251 (1985), Nativelle, C., et al.: Food Chem. Toxicol., 37, 905 (1999), Howdeshell, K., et al.: Toxicol. Sci., 105, 153 (2008),

Applications Ethanolamine-13C2 is the labeled analogue of Ethanolamine (E676500), which is used in the preparation of various pharmaceutical compounds and inhibitors. Ethanolamine-13C2, is also a 13C-labeled lipid precursor, used for the detection of phospholipid metabolism and the synthesis of phosphatidylethanolamine in T47D human breast cancer cells.
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 Ronen, S. M., et al.: Magnetic Resonance Med., 25, 384 (1992); Lombardo, L. et al.: J. Med. Chem., 47, 6658 (2004); Egan, T.: J. Med. Chem., 43, 283 (2000);

Applications 5-(4-Chlorobutyl)-1-cyclohexyltetrazole-d11 (cas# 1073608-19-1) is a compound useful in organic synthesis.

Applications Isotope labelled Phosphoric Acid Tributyl Ester is used as a solvent in the solvent-detergent method for production of immunoglobulin for inactivation of viruses with lipid envelope on the model of duck hepatitis B virus. It is also used as a ligand in the extraction of lanthanide ions from solid and liquid materials by supercritical CO2.
References Zubkova, N., et al.: Bull. Exp. Biol. Med., 155, 821 (2013); Lin, Y., et al.: Anal. Chem., 66, 1971(1994)

Applications 2-Benzothiazolethiol-d4 (cas# 1346598-64-8) 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 N,N-Diisopropylamine-d14 Hydrochloride (cas# 1219803-88-9) is a compound useful in organic synthesis.

Applications Methyl-d3 Methanesulfonate (CAS# 91419-94-2) is a useful isotopically labeled research compound.

Applications Mono(2-ethylhexyl) Terephthalate-d4 is the labeled analogue of Mono(2-ethylhexyl) Terephthalate (M542570), a plasticizer for poly(vinyl chlorides) and a metabolite of di(2-ethylhexyl) terephthalate (DEHT) which has been found not to be genotoxic.
References Reichherzer, R.: Mitt. Chem. Forsch. Wirt. Oesterr., 11, 5 (1957); Barber, E.D.: Environ. Mol. Mutagen., 23, 234 (1994)

Applications 3,5-Dichlorobenzoic-d3 Acid (CAS# 1219803-99-2) is a useful isotopically labeled research compound.

Applications Isotope labelled Metconazole is an conazole based fungicide used for the control of black sigatoka disease on banana. Metconazole acts primarily as an inhibitor of ergosterol biosynthesis which interferes with the synthesis of fungal cell membranes.
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 Cools, H.J., et al.: Pest. Manage. Sci., 68, 1034 (2012); Nam, M.H., et al.: Res. Plant. Disease., 17, 295 (2011);

Applications Sodium Butyrate (13c4, 99%) (cas# 312623-84-0) is a useful research chemical.

Applications A labelled form of Catechol (C215175) and has been used in the characterization of surface inclusion of unidirectional molecular motors in hexagonal tris(o-phenylene)cyclotriphosphazene.
References Kaleta, J.; et al.: J. Am. Chem. Soc., 139, 10486 (2017).

Applications A labelled metabolite of 4-t-nonylphenol
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 Ye, X., et al.: Drug Metab. Disposition, 35, 1269 (2007), Gabriel, F., et al.: Env. Sci. Technol., 42, 6399 (2008), Liedtke, A., et al.: Env. Toxicol., 23, 59 (2008),

Applications Dihydro uracil-d4 is deuterium labelled dihydro uracil (D449990). Modified nucleobases are useful molecular tools to study nucleic acid structures and to probe biological systems. Dihydro uracil has also been utilized in mechanistic studies relating to the base excision repair (BER) pathway during DNA repair.
References Chawla, M., et al.: Nucleic Acids Res 43, 9573 (2015); Jian, Y., et al.: J. Am. Chem. Soc. 137, 3318 (2015); Shaul, Y. D., et al.: Cell 158, 1094 (2014)

Applications Isotope labelled 24 Bisphenol S (B519620) is a material used in thermal printing. 24 Bisphenol S is also used in the development of black leuco dyes.
References Shima, H. et al.: J. Imag. Sci. Technol., 54, 020502 (2010)

Applications 4-Aminobutyric-2,2-d2 Acid (CAS# 67910-98-9) is a useful isotopically labeled research compound.

Applications Methoxyfenozide-d9 is deuterium labelled Methoxyfenozide (M262765). It is used primarily as an insecticide, and pesticide.
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 Zhao, Q., et al.: J. Agricul, Food Chem., 56, 10799 (2008);

Applications 17beta-Estradiol-2,4,16,16,17-d5 (CAS# 221093-45-4) is a useful isotopically labeled research compound.

Stability Toxic
Applications Isotopopically Labelled analogue of Captan (C175725), which is an acetylcholinesterase inhibitor acting as a fungicide (1), often added to pesticide mixtures to control diseases among fruits and vegetables. Detected through various analytical techniques involving pesticide residues such as MS-PD and GC-MS (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. Also used in cannabis testing.
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. Afful, S. et al.: Res. J. App. Sci. Eng. Tech. (2010) 14 Jul:2(6) 592-52. Engelen, K. et al.: J. Proteome. Res. 2010 Oct 1;9(10):4919-263. Lagunas-Allue, L. et al.: Anal. Bioanal. Chem. 2010 Oct;398(3):1509-23

Applications Wittig Reagent

Applications δ-Valerolactam-d4 is a labeled analog of δ-Valerolactam (V091440), which is a useful synthetic intermediate. It is an intermediate used to synthesize Cenicriviroc (C256550), an experimental drug candidate for the treatment of HIV infection. It is also a starting material for a new route to hexahydrojulolidines, using intramolecular 1,4-cycloaddition.
References Potts, K., et al. J. Org. Chem., 58, 5040 (1993); Klibanov, O., et al.: Curr. Opinion Invest. Drugs, 11, 940 (2010);

Applications Labelled Butylparaben. An antimicrobial agent used in cosmetic products.
References Gilliland, D. et al.: J. Appl. Bacteriol., 72, 258 (1992); Routledge, E. et al.: Toxicol. Appl. Pharmacol., 153, 12 (1998); Miller, C. et al.: J. Biol. Chem., 272, 32824 (1997); Nakagawa, Y. et al.: Biochem. Pharmacol., 55, 1907 (1998);

Applications Labelled insecticidal, acaricidal, and fungicidal combinations of carboxamides and other pesticides.
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 Dugo, G., et al.: Food Chem., 16, 435 (2005), Caldas, E., et al.: Toxicology, 222, 132 (2006), Cabras, P., et al.: J. Agric. Food Chem., 45, 2244 (1997), Wilkinson, C., et al.: Regul. Toxicol. Pharmacol., 31, 30 (2000),

Applications Labelled analogue of Sulfachlorpyridazine, an antibacterial compound.
References Wammer, K.: Environ. Toxicol. Chem. 25, 1480 (2006);

Applications 1-Amino Hydantoin Hydrochloride (A611090), a metabolite of Nitrofuran.Environmental contaminants
References Tribalat, L., et al.: Anal. Bioanal. Chem., 386, 2168 (2006), Chu, P., et al.: J. Agric. Food Chem., 55, 2129 (2007),

Applications Carbon 13 Labelled analogue of Adenosine (A280400), a purine nucleoside that plays an important role in various biochemical processes.
References Long, X., et al.: J. Pharmacol. Exper. Ther., 335, 781 (2010); Ham, M., et al.: J. Pharmacol. Exper. Ther., 335, 607 (2010)

Applications Isotope labelled Oxacillin Sodium Salt is a semi-synthetic antibiotic related to Penicillin. Antibacterial.
References Goldenthal, E.I., et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971),

Applications Diethyleneglycol Monoethyl-d5 Ether (CAS# 1219804-11-1) is a useful isotopically labeled research compound.

Applications Labelled 2-(1-Piperazinyl)pyrimidine, the major metabolite of Tandospirone (T006430).
References Goa, K., et al.: Drugs, 32, 114 (1986); Lamberg, T., et al.: Clin. Pharmacol. Ther., 63, 640 (1998); Niwa, T., et al.: Biol. Pharm. Bull 28, 1711 (2005); Natsui, K., et al.: Eur. J. Drug Metab. Pharmacokinet., 32, 233 (2007);

Applications tert-Butyl Alcohol-d10 is an isotopic analog of Tert-butyl Alcohol (T117540), an organic solvent. It is also used in the synthesis of proteosome inhibitors that are quite potent.
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 Kawamura, S. et al.: J. Med. Chem., 56, 3689 (2013); Galy, N. et al.: Tetrahedron Lett., 54, 2703 (2013)

Applications Trigonelline-D3 is an intermediate used in the synthesis of Trigonelline-d3 HCl (N-methyl-d3) (T794052), which is deuterium labelled Trigonelline HCl. Trigonelline HCl has utility in developing site-specific system that delivers drugs to the brain. It has also been suggested as a potential anti-Alzheimer disease agent.
References Bodor, N., et al.: J. Med. Chem 26, 313 (1983); Makowska, J., et al.: J. Chromatogr. B 968, 101 (2014)

Stability Air sensitive, Material darkens in storage with no loss in purity
Applications Isotope labelled Aniline (A662475), which is used in the manufacture of dyes, medicinals, resins, varnishes, perfumes, as a vulcanizing rubber or even as a solvent (1,2). Hazardous and noxious substance which affects the early life stages of marine animals (3). 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. Cunha, I. et. al.: Environ. Sci. Pollut. Res. Int. 2017 Mar 10.2. Zhang, X. et al.: Synthesis. 2013 45(10): 1357-13633. Barkov, A. et al.: Russ. Chem. Bull. 2012. Aug:61(8) pp1564-9

Applications Labelled analogue of Diphenyl Phosphate, an organophosphate diester and metabolite of the flame retardant Triphenyl phosphate (T808990) and also a metabolite of 2-Ethylhexyl diphenyl phosphate.
References Cooper, E.M. et al.: Anal. Bioanal. Chem., 401, 2123 (2011); Nishimaki-Mogami, T. et al.: Arch. Toxicol., 61, 259 (1988);

Applications N,N-Dimethyldodecylamine-d6 is the isotope labelled analog of N,N-Dimethyldodecylamine. N,N-Dimethyldodecylamine is used as a reagent in the synthesis of epoxy quaternary ammonium salt surfactants which exhibit potential antibacterial activity.
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 Liu, Y., et al.: J. Disper. Sci. Technol., 35, 1460 (2014)

Applications N6,O2'-Dimethyladenosine-d3 is an isotopic analog of N6,O2'-Dimethyladenosine (D447415), a naturally occurring modified nucleoside in RNA. It was reported in the preparation of alkylated adenosines as antihypertensive agents.
References Yamada, T., Kageyama, K.: Eur. Pat. Appl. (1988), EP 269574 A2 19880601; Aduri, R., et al.: J. Chem. Theory Comput., 3, 1464 (2007);

Applications Labelled Fenhexamid (F247650). Hydroxyanilide fungicide.
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 Yamashita, M., et al.: J. Phys. Chem., 88, 4451 (1984), Kende, A., et al.: Microchem. J., 84, 63 (2006),

Applications The toxicity of halogenated benzoic acids was found to be directly related to the compound's hydrophobicity. Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. This is the labelled analog.
References Moore, D., et al.: Environ. Toxicol. Chem., 16, 794 (1997), Zhao, Y., et al.: Sci. Total Environ., 216, 205 (1998), Fiorentino, A., et al.: J. Agric.Food Chem., 51, 1005 (2003),

Applications The labelled analogue of a versatile ethylenediamine derivative used as an intermediate in the organic synthesis of neurochemicals, antitumor agents and other pharmaceutical compounds.
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 Squires, R.F. et al.: Neurochem. Res., 18, 787 (1993); Murdock, K.C. et al.: J. Med. Chem., 22, 1024 (1974);

Applications Labelled Nicotinic acid. It is a precursor of the coenzymes NAD and NADP. Widely distributed in nature; appreciable amounts are found in liver , fish, yeast and cereal grains. Dietary deficiency is associated with pellagra. The term “niacin” has also been applied to nicotinamide or to other derivatives exhibiting the biological activity of nicotinic acid. Vitamin (enzyme cofactor).
References Darby, W.J., et al.: Nutr. Rev., 33, 289 (1975), Black, A., et al.: Eur. J. Clin. Nutr., 54, 395 (2000), Cole, T., et al.: Br. Med. J., 320, 1240 (2000), Forshee, R., et al.: J. Nutr., 134, 2733 (2004),

Stability Hygroscopic
Applications N-Acetylneuraminic Acid-13C,d3 is a labelled Neuraminic Acid derivative.
References Oetke, C., et al.: J. Biol. Chem., 277, 6688 (2002)

Applications Gallic Acid-d2 is the labelled analogue of Gallic acid (G188978) which is a phenolic acid with antioxidant activity. Gallic acid was found to protect human cells against oxidative damage and showed cytotoxicity against cancer cells. Gallic Acid and its esters also show antiviral and antifungal activities.
References Yen, G. et al.: Food Chem., 79, 307 (2002); Chen, C. et al.: Mol. Nutrit. Food Res., 51, 962 (2007); Kratz, J. et al.: Mem. Inst. Oswaldo Cruz, 103, 437 (2008); Osborne, L. et al.: Infect. Immun., 33, 769 (1981);

Applications Deuterium labelled analog of (±)-α-Bisabolol, which is found in a variety of beauty and skin care products, including compositions for skin lightening cosmetic creams, color change cosmetic compositions for makeup fused with antioxidant function and oil-to-gel makeup removing compositions.
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 Ma, P. et al.: Faming Zhuanli Shenqing 11pp. Patent 2017 CODEN:CNXXEV; Son, T.; et al.: Repub. Korean Kongkae Taeho Kongbo 14pp.; Chemical Indexing Equivalent to 167:543596 (WO) Patent 2017 CODEN:KRXXA7; Lin, X.; et al.; Faming Zhuanli Shenqing 8pp. Patent 2017 CODEN:CNXXEV

Applications Fumaric Acid-d2 is the isotope labelled analog of Fumaric Acid. Fumaric acid is a compound that occurs in many plants. It is essential to vegetable and tissue respiration and also used as an antioxidant. Fumaric acid is also a metabolite of Dimethyl Fumarate (D464965), a compound used as a treatment for the relapsing forms of multiple sclerosis and psoriasis.
References Jelitto, T., et al.: Planta, 188, 238 (1992); Schimrigk, S., et al.: Eur. J. Neurol., 13, 604 (2006); Son, H., et al.: J. Agric. Food Chem., 56, 8007 (2008);

Applications Labelled analogue of Potassium Cyanide, a reagent widely used in organic synthesis for the preparation of nitriles and carboxylic acids, particularly in the von Richter reaction.
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 Kollenz, G. et al.: Org. Prep. Proc. Int., 12, 244 (1980); Subramanian, L. R.: Sci. Synth., 19, 173 (2004);

Applications Isotope labelled Ethyl Caproate is used in the synthesis of novel EP2/EP4 dual agonist of γ-lactam prostaglandin E1 analogs. Also used as a chemical reagent in the synthesis of PPARα antagonists in the treatment of metabolic diseases.
References Kambe, T. et al. Bioorg. Med. Chem. Lett., 22, 396 (2012); Ammazzalorso, A. et al.: Bioorg. Med. Chem. Lett., 21, 4869 (2011);

Applications Isotope labelled Acetamide (A133060) which is often used as plasticizer and as industrial solvent (1). It can also be used for the transamidation of carboxamides in 1,4-dioxane in the absence of a catalyst (2) . Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
References 1. Ma, X. et al.: Carb. Polym. 2004 Aug:57(2):197-2032. Vanjari, R. et al.: Tetrahedron. Lett. 2013 MayL54(20):2553-5

Applications Useful for diagnostic determination of Melamine and related compounds in kidney tissue.
References Mast, R., et al.: Food Chem. Toxicol., 21, 807 (1983), Yokley, R., et al.: J. Agric. Food Chem., 48, 3352 (2000), Ehling, S., et al.: Food Addit. Contam., 24, 1319 (2007), Vail, T., et al.: J. Anal. Toxicol., 31, 304 (2007),

Applications D-Mannose is a carbohydrate that is important in the glycosylation of molecules in a variety of cellular processes. It is involved in N and O glycosylation of bovine why protein products, used in infant formulas. It is also responsible for the O-glycosylation of the T helper cell-derived cytokine interlukin-17A, an important cell-signaling molecule. This is the labeled analog.
References Van Leeuwen, S. et al.: J. Agri. Food Chem., 60, 12553 (2012); Geoghegan, K. et al.: Prot. Express. Purif., 87, 27 (2013);