Deuterated Compounds

Applications 1-Bromooctane-1,1-d2 (CAS# 86423-34-9) is a useful isotopically labeled research compound.

Applications 2-Pyridylacetic-alpha,alpha-d2 Acid-OD DCl (CAS# 1219802-51-3) is a useful isotopically labeled research compound. Chemical Name: 2-Pyridylacetic-alpha,alpha-d2 Acid-OD DCl (CAS# 1219802-51-3) is a useful isotopically labeled research compound.

Applications 1-Iodopropane-1,1,3,3,3-d5 (CAS# 1219794-94-1) is a useful isotopically labeled research compound.

Applications Nexturastat A-d5 is the isotope labelled analog of Nexturastat A (N391500); a potent and selective histone deacetylase 6 (HDAC6) inhibitor that shows potential antiproliferative effects against melanoma cells. References Bergman, J.A., et al.: J. Med. Chem., 55, 9891 (2012)

Applications Isotope labelled Epoxiconazole is a fungicide used to inhibit the metabolism and growth of mycelia. 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 Gromadzka, K., et al.: Cereal. Res. Commun., 40, 518 (2012); Chen, Yu,, Plant. Disease., 96, 1495 (2012); Echeverria-Saenz, S., et al.: Sci. Total. Environ., 440, 106 (2012);

Applications S-Methyl-d3-thioacetaminophen is deuterium labeled S-Methyl-3-thioacetaminophen (M330610), a metabolite of Acetaminophen (A161220). Acetaminophen is an analgesic and antipyretic agent used as a pain reliever to treat headache, muscle aches, and arthritis (1,2,3). References (1) McGill, M. R. and Jaeschke, H. Pharm Res. 30, 2174 (2013)(2) Fairbrother, J.E., et al.: Anal. Profiles Drug Subs., 3, 1 (1974) (3) Hinson, J.A., et al.: Rev. Biochem. Toxicol., 2, 103 (1980)

Applications 2,5-Dihydro-2-hydroxy-5-nitro-2-furanmethanediol-d3 Triacetate (cas# 1346604-22-5) is a compound useful in organic synthesis.

Applications 2,6-Dichloroaniline-3,4,5-d3 (CAS# 77435-48-4) is a useful isotopically labeled research compound.

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

Applications 4-Benzyloxyphenylacetonitrile-d2 is an intermediate in synthesizing N-Iodoacetyltyramine-d4 (I685882), an isotope labelled N-Iodoacetyltyramine (I685880). It is used in iodine-125 labelling of various molecules for chemical analysis. References Lin, C. et al.: Anal. Biochem., 179, 389 (1989);

Applications Dodecylbenzene-d5 is an intermediate used in the synthesis of PHT-427-d4 (Major) (P399157), which is a deuterated version of PHT-427 (P399158), a pleckstrin homology domain inhibitor to Akt and PKB Kinase (PDPK1). References Lucero-Acuna, A., et al.: Int J Pharm, 494, 249 (2015)

Stability Volatile Applications 2-Bromobutane-d9 is labelled 2-Bromobutane (B681835) which is used in the various organic synthesis, existing as a grignard reagent. References Girard, P. et al.: J. Am. Chem. Soc., 102, 2693 (1980); Apsel, B. et al.: Nat. Chem. Biol., 4, 691 (2008);

Applications 1-​Chloro-​2-​phenyl-diazene-13C6 is an intermediate in synthesizing N-Acetyl-S-(phenyl-13C6)-L-cysteine (A187357), a labelled N-Acetyl-S-phenyl-L-cysteine (P335600). It is an important metabolite of Benzene. References Muller, G., et al.: Anal. Hazard. Subst. Biol. Mater., 5, 143 (1997)

Applications Irbesartan-d6 is deuterium labelled Irbesartan (I751000) which is an angiotensin II type 1 (AII1)-receptor antagonist. References Gillis, J.C. and Markham, A.: Drugs, 54, 885 (1997); Chando, T.J., et al.: Drug. Metabol. Dispos., 26, 408 (1998),

Applications 2-Bromoaniline-d4 is the labeled analogue of 2-Bromoaniline (B679950), a reagent used in the synthesis of substituted 2-carboxanilides as herbicides and antibacterials. Also used in the synthesis of benzisothiazol-3-one derivatives as caspase-3 inhibitors. 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 Kos, J. et al.: Molecules, 18, 7977 (2013); Liu, D. et al.: Bioorg. Med. Chem., 21, 2960 (2013)

Applications 2-Bromotoluene-3,4,5,6-d4 (CAS# 56444-57-6) is a useful isotopically labeled research compound.

Applications Phenyl 4-Bromo-2-(ethyl-d3)pyridine-1(2H)-carboxylate is an intermediate in the synthesis of Ethionamide-d3 (E890422), a labelled antibacterial (tuberculostatic) agent. References Banerjee, A., et al.: Science, 263, 227 (1994), Newton, G., et al.: J. Bacteriol., 178, 1990 (1996), Baulard, A., et al.: J. Biol. Chem., 275, 28326 (2000), Koledin, T., et al.: Arch. Microbiol., 178, 331 (2002), Cardoso, R., et al.: Antimicrob. Agents Chemother., 48, 3373 (2004),

Applications Isotope labelled Methanol (M276585), which is a common chemical reagent in organic synthesis participating in a variety of reactions. Used to prepare novel triazole-polyphenol hybrid compounds as FabG4 (Rv0242c) enzyme inhibitors for the treatment of Mycobacterium Tuberculosis (1). Also used in the synthesis of prodelphinidin B1/B2/B4 which display antitumor activities against prostate cancer cells.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. Banerjee, D. et al.: Org. Biomol. Chem. 2014 Jan 7;12(1):73-85.

Applications Nitrogen 15 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 Pyrrolidine-2,2,5,5-d4 (CAS# 42403-25-8) is a useful isotopically labeled research compound.

Applications Glyceryl Tri(octanoate-d15) (CAS# 352431-24-4) is a useful isotopically labeled research compound.

Applications 1-Bromotetradecane-d29 is the isotope labelled analog of 1-Bromotetradecane (B688015); a compound that is part of a group of bromoalkanes that have high potential to cause allergic contact dermatitis (ACD) in humans. 1-Bromotetradecane is also a useful synthetic intermediate. References Basketter, D., et al.: Contact Dermatitis, 27, 137 (1992); Fedorowicz, A., et al.: Chem. Res. Toxicol., 18, 954 (2005); Siegel, P., et al.: Toxicol. Sci., 107, 78 (2009)

Applications Isotope labelled D-Glucitol is a sugar alcohol obtained from the reduction of glucose and is naturally found in various fruits such as apples, pears and peaches. D-Glucitol has been widely used as a sweetener, laxative, various medical applications and in cosmetic products. References Wang, Z.J., et al.: Anal. BIoanal. Chem., 405, 3899 (2013); Vinarta, S.C., et al.: Carb. Poly., 92, 1107 (2013); Kaumanu, M.L., et al.: Soil. Biol. Biochem., 57, 644 (2013); Hailu, T., et al.: Anal. Biochem., 434, 181 (2013);

Applications Ursodeoxycholic Acid-24-13C is the labeled compound of Ursodeoxycholic Acid (U850000). It is used as an anticholelithogenic. Epimer with Chenodiol with respect to the hydroxyl group at C7.

Applications Benzophenone-2,3,4,5,6-d5 is derived from Benzene-d6 (B185282), which is an isotope labelled benzene, an organic compound that is a natural constituent of crude oil and one of the most basic petrochemicals. References Feng, Z.X.. et al.: J. Phys. Chem. Lett. 4, 285 (2013); Pilling. M., et al.: Chem. Eng. Prog., 108, 32 (2012);

Applications D-Phenyl-d5-alanine-N-t-BOC (CAS# 1213661-19-8) is a useful isotopically labeled research compound.

Applications Labelled Isobutylparaben. 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 2,3-Dichlorobenzoic Acid-13C (cas# 1184971-82-1) is a compound useful in organic synthesis.

L-Aspartic acid -13C4 is a metabolic intermediate and a building block of proteins. It is involved in the synthesis of glutamate, which is an important neurotransmitter. L-Aspartic acid -13C4 also has been shown to have an activity index similar to that of basic fibroblast growth factor (bFGF) for the proliferation and differentiation of human keratinocytes, suggesting that it may be useful for wound healing. L-Aspartic acid -13C4 has been shown to act as a cell lysis agent in cells and human serum. The toxicity studies showed that the drug had no effect on bowel disease in rats or mice. This suggests that L-aspartic acid -13C4 can be used as a treatment for bowel disease without side effects.

Applications 9-Methylanthracene-d12 (CAS# 6406-97-9) is a useful isotopically labeled research compound.

Applications 2-(Cyanomethyl)-1H-indole-1-carboxylic Acid tert-Butyl Ester-13C,15N is an isotope labelled intermediate in the synthesis of endothelial lipase inhibitors.

Applications Labelled Dimethyl Phosphate (D477600). Used in the synthesis of L,L- and L,D-di-myo-inositolphosphates. 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 Stieglitz, K., et al.: J. Biol. Chem., 277, 22863 (2002),

Applications 2,2,3,5-Tetramethylhexanoic Acid-d3 is the isotope analog of 2,2,3,5-Tetramethylhexanoic Acid. 2,2,3,5-Tetramethylhexanoic Acid is used in analytical studies as a method to quantitatively determine the total organic acid content in aqueous coolant. References Lynn, T.B., et al.: PCT Int. Appl., 2012:1561111 (2012)

Applications 1-Bromo-2,3,5-trichlorobenzene-d2 (CAS# 1219803-86-7) is a useful isotopically labeled research compound.

Applications N-(4-Fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)-4-piperidinyl]-propanamide-d7 is deuterium labeled N-(4-Fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)-4-piperidinyl]-propanamide (F489575).N-(4-Fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)-4-piperidinyl]-propanamide is an impurity of Furanylfentanyl (F864085), which is an opiod analgesic agent and an analog of Fentanyl (F275000). In addition, N-(4-Fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)-4-piperidinyl]-propanamide may be a useful compound for developing fentanyl-conjugated vaccines by utilizing a protein-drug conjugate that generates an in vivo immunoantagonist, which can minimize the concentration of a specific drug at the sites of action. 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 Bremer, P. T., et al.: Angew. Chem. Int. Ed. 55, 3772 (2016); Zernig, G., et al.: Life Sci., 57, 2113 (1995), Bot, G., et al.: J. Pharmacol. Exper. Therap., 285, 1207 (1998)

Applications Isotope labelled (±)-Propylene Oxide (P835241), which is a carcinogenic substance to rats and potentially humans (1). (±)-Propylene oxide also has the ability to self-polymerize at room temperature in the presence of powdered potassium hydroxide (2). (±)-Propylene oxide is used in industry for fumigation in the food industry, inducing the formation of persistent toxic chlorohydrins. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. E3 References 1. Narang, S. et al.: Ind. Eng. Chem. Res. 2013 Feb:52(11);3967-39732. Timofeeva, M. et al.: Microporous Mesoporous Mater. 2013 Jan:165(1);84-91

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 N3-Tritylpyridine-2,3-diamine-d3 is an intermediate in the synthesis of Pentosidine-d3 TFA Salt which is a biochemical marker of bone turnover for management of metabolic bone diseases. References Turner, W., et al.: Biol. Psychiatry, 14, 177 (1979), Miyata, T., et al.: Kidney Int., 60, 2351 (2001), Politi, P., et al.: Neurosci. Lett., 396, 163 (2006),

Applications Biphenyl-4,4'-d2 (CAS# 6120-99-6) is a useful isotopically labeled research compound.

Applications Isotope labelled D-Glucitol is a sugar alcohol obtained from the reduction of glucose and is naturally found in various fruits such as apples, pears and peaches. D-Glucitol has been widely used as a sweetener, laxative, various medical applications and in cosmetic products. References Wang, Z.J., et al.: Anal. BIoanal. Chem., 405, 3899 (2013); Vinarta, S.C., et al.: Carb. Poly., 92, 1107 (2013); Kaumanu, M.L., et al.: Soil. Biol. Biochem., 57, 644 (2013); Hailu, T., et al.: Anal. Biochem., 434, 181 (2013);

Stability Hygroscopic Applications 3,4-Dihydroxybenzaldehyde-d3 is an intermediate in synthesizing DL-threo-Droxidopa-d3 (D689953). It is an isotope labelled compound of DL-threo-Droxidopa (D689950), a synthetic amino acid precursor of Norepinephrine. An antiparkinson. References Bartholini, J., et al.: J. Pharmacol. Exp. Ther ., 193, 523 (1975), Kato, T., et al.: Biochem. Pharmacol., 36, 3051 (1987), Kawabata, A., et al.: Br J. Pharmacol., 111, 503 (1994),

Applications N-Nitrosodiethylamine-d10 is a labelled form of N-Nitrosodiethylamine (N525465) which is a widely occurring nitrosamine that is one of the most important environmental carcinogens primarily inducing tumors of liver.NDMA and NDEA were found as an impurity in generic versions of valsartan, losartan and irbesartan. 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 Oda, Y., et al.: Mutation Research, Genetic Toxicology and Environmental Mutagenesis, 584, 1 (2005); Yamazaki, H., et al.: Carcinogenesis, 13, 1789 (1992);Chem. and Eng. News, p.5, Feb. 25, 2019

Applications N-(3-Methylbutyryl)glycine-2,2-d2 (CAS# 1219795-09-1) is a useful isotopically labeled research compound.

Applications Thiamine hydrochloride phosphate-d3 was used as a reagent in the redn. of cytochrome c in its reaction with thiamine and its structural analogs. References Vovk, A. I, et al.: Russian J. of Gen. Chem. 72(11), 1808-1812. (2002)

Applications 2-(3,4-Dihydroxyphenyl-13C6)ethylamine HCl (CAS# 335080-94-9) is a useful isotopically labeled research compound.

Applications (2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile-d1 is the deuterated form of (2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile (C363780), which is a key intermediate for dipeptidyl peptidase IV inhibitor Vildagliptin (V305000). References Singh, S.K., et al.: Beil. J. Org. Chem., 4, 20 (2008);

Applications Benzonitrile-D5 is a labelled analogue of benzonitrile, commonly used as a precursor to synthesize a wide range of aromatic compounds and also forms stable coordination complexes with transition metals. 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 Anderson, G., et al.: Inorg. Syn., 28, 60 (1990); Cui, D., et al.: Angew. Chem. Int. Edit., 117 981 (2005)

Applications Benzyl-2,3,4,5,6-d5 Acetate (CAS# 1398065-57-0) is a useful isotopically labeled research compound.

Applications 17beta-Dihydroequilin-2,4,16,16-d4 (CAS# 350819-99-7) is a useful isotopically labeled research compound.

Applications Isotope Labelled 1-Nitrosopyrrolidine (N545950), which is one of the N-nitroso compounds (NOCs) implicated in human colon carcinogenesis, but the toxicological mechanisms involved have not been elucidated. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. References 1. Singer, S. et al.: J. Med. Chem. 1985 Aug;28(8):1088-93.2. Tomatis, L. et al.: Carcinogenesis. 1997 Jan;18(1):97-105.3. Helguera, A. et al.: Toxicol Appl Pharmacol. 2007 Jun 1;221(2):189-202.

Applications 1-Iodopropane-2,2-d2 (CAS# 25493-15-6) is a useful isotopically labeled research compound.

Applications 4-Fluorobenzoic Acid-d4 is used as a reagent in the synthesis of Flurofamide-d4 (F596687); the isotope labelled analog of Fluorofamide (F596685) which is a compound that acts as a urease inhibitor, useful in the treatment of gastritis and irregular urease activity in the urinary tract. References Loes, A. et al.: Lett. App. Microbiol., 58, 31 (2014); Ohta, T.et al.: Biochem. Biophys, Res. Comm., 285, 728 (2001)

Applications Iodoacetic Acid 2-13C is labelled Iodoacetic Acid (I685520) which is used as a general reagent in acylation reactions. It is also a byproduct formed in treated waters, and found in marine life. References Zuckermann, R.N. et al.; J. Am. Chem. Soc., 115, 10646 (1992); Bull, R., et al.: Toxicol. Appl. Pharmacol., 182, 55 (2002); Mitch, W., et ;l.: Water Sci. Technol., 2, 191 (2002)

Applications Tetraethylcystamine-13C8 is the isotope labeled form of Tetraethylcystamine (T291435), which is a reagent used in the addition of Thiobistriethylamine.Also, it is an intermediate used in the synthesis of Tiamulin-13C4 Fumarate (T436603), which is labeled Tiamulin (T436600); a derivative of Pleuromutilin; anti-bacterial. References Evers, M., et al.: Bioorg. Med. Chem. Lett., 13, 4415 (2003); Egger, H., et al.: J. Antibiot., 29, 923 (1976), Baughn, C.O., et al.: Avian Dis., 22, 620 (1978), Goodwin, R.F., et al.: Vet. Rec., 104, 194 (1979), Kitai, K., et al.: Antimicrob. Agents Chemother., 31, 1935 (1987), Aarestrup, F., et al.: Vet. Microbiol., 64, 299 (1999)

Applications Ethyl-1,1-d2 Alcohol-OD (CAS# 22544-42-9) is a useful isotopically labeled research compound.

Applications 2,3-Dimethylphenol-13C4 is an isotope labelled analog of 2,3-Dimethylphenol. 2,3-Dimethylphenol is a useful synthetic intermediate. It was used in the synthesis of hydroxychalcones and flavones with antiinflammatory activities. It was also used to prepare 3,3-bisaryloxindole analogs as mineralocorticoid receptor antagonists. 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 Ballesteros, J., et al.: J. Med. Chem., 38, 2794 (1995); Neel, D., et al.: Bioorg. Med. Chem. Lett., 15, 2553 (2005)

Applications 1-Iodo-2,3-dimethoxybenzene-d6 is the isotope labelled analog of 1-Iodo-2,3-dimethoxybenzene. 1-Iodo-2,3-dimethoxybenzene is used in the preparation of fused heterocyclic amido compounds as a potential anti hepatitis C virus agents. References Aoyama, H., et al.: Bioorg. Med. chem., 19, 2675 (2011);

Applications Butyryl-2,2-d2 Chloride (CAS# 90587-10-3) is a useful isotopically labeled research compound.

Applications Heptanoic-2,2-d2 Acid (CAS# 64118-38-3) is a useful isotopically labeled research compound.

Applications 1,3-Dioleoyl-2-stearoylglycerol-d5 is the isotope labelled analog of 1,3-Dioleoyl-2-stearoylglycerol (D484305); a triglyceride found in various natural sources such as coconut oil, palm oil, rice bran oil, sunflower oil and sesame oil. References Reena, M.B. et al.: Eur. J. Lipid Sci. Technol., 111, 346 (2009); Huey, S. et al.: J. Food Sci., 74, E177 (2009)

Applications Labelled Fumaric Acid (F500380). Occurs in many plants. Essential to vegetable and tissue respiration. Used as an antioxidant. References Jelitto, T., et al.: Planta, 188, 238 (1992), Son, H., et al.: J. Agric. Food Chem., 56, 8007 ( 2008),

Applications o-Toluic Acid-13C1 (carboxyl-13C) (CAS# 70838-82-3) is a useful isotopically labeled research compound.