Deuterated Compounds

Applications (R)-2,3-Di(benzoyloxy)propyl-1,1-d2 4-Toluenesulfonate is an intermediate used in the synthesis of (S)-PA 824-d4 (P122502), which is a labelled novel anti-tuberculosis drug.
References Diacon, A.H. et al.: Antimicrob. Anents Chemother., 54, 3402 (2010); Dogra, M. et al.: Br. J. Pharmacol., 162, 226 (2010); Ginsberg, A.M. et al.: Antimicrob. Agents Chemother., 53, 3720 (2009);

Applications Iodobenzene-d5 (cas# 7379-67-1) is a useful research chemical.

Applications Labelled 2-Bromo-1,3-propanediol (B686665) derivative. 2-Bromo-1,3-propanediol is used for isolating bases by means of Reinecke's salt.
References Dudley, H., et al.: Biochem. J., 27, 157 (1933),

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

Applications An intermediate for the synthesis of labelled thiazolidinedione anti-diabetic drugs
References Cantello, B., et al.: Bioorg. Med. Chem. Lett., 4, 1181 (1994),

Applications (2-Carboxyethyl)dimethyl-d6-sulfonium Chloride is an intermediate in the synthesis of Dimethylsulfonioproprionate-d6 (D479362), a labelled metabolite produced primarily by marine phytoplankton and is the main precursor to the climatically important gas dimethylsulfide (DMS). Dimethylsulfonioproprionate along with DMS is a primary source of sulfur aerosol in the earth’s atmosphere and may have an influence on global temperature.
References Reisch, C.R. et al.: Front. Microb. Physiol. Metab., 1, 172 (2011); Matrai, P.A/ et al.: Marine Biol., 119, 61 (1994); Gabric, A.J. et al.: Tel. Ser. B Chem. Phys. Meteorol., 57B, 391 (2005):

Applications N-Phenethylbenzamide-d5 is an isotope labelled intermediate in the synthesis of deteurerium-labeled amides within microreactors.
References Hooper, J., Watts, P.: J. Labelled Compd. Rad., 50, 189 (2007)

Applications N-[1-(3’-Benzyloxyphenyl)ethyl]-N-(methyl-d3)-O-ethylcarbamate (cas# 1189709-65-6) is a compound useful in organic synthesis.

Applications Intermediate in the preparation of labelled α-Carboline derivatives

Applications Isotope labelled analog of 2-Hydroxybenzonitrile (H808480) is used in the synthesis of CDK/GSK-3 inhibitors, for usage as therapeutics in Alzheimer’s.
References Mettey, Y. et al.: J. Med. Chem., 46, 222 (2003);

Applications An intermediate for the preparation of the metabolite of Pioglitazone (P471000).
References Tanis, S.P., et al.: J. Med. Chem., 39, 5053 (1996)

Applications 1,4-Bis(tert-boc)piperazine-d8 (cas# 1246816-49-8) is a compound useful in organic synthesis.

Applications 3-Butenyl-d2 Tosylate is a proposed intermediate for the synthesis of (5S,5’S)-Dihydroxy Lysinonorleucine-d4 (D452902), which is isotope labelled (5S,5’S)-Dihydroxy Lysinonorleucine, a collagen reducible crosslink agent.
References Mizikova, I. et al.: FEBS J., 285, 3056 (2018);

Applications Octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine-d4 is an isotope labelled intermediate in the synthesis of moxifoxacin (M745000), a fluorinated quinolone antibacterial.
References Somisetti, N. et al.: Org. Chem. Indian J., 7, 123 (2011);

Applications Labelled analogue of 2-Bromopropane, a short chain alkyl halide used in organic synthesis primarily as an alkylating agent for introducing the isopropyl functional groups.
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 Mayants, A.G. et al.: Zhur. Org. Khim., 25, 419 (1989); Miller, B. et al.: J. Org Chem., 30, 3895 (1965);

Applications Ethyl 3-(4-Fluorophenyl)-2-(2-methylpropionyl)propenoate-d6 (cas# 1185241-64-8) is a compound useful in organic synthesis.

Applications Dithio-2,2'-bis(N-methylbenzamide)-d6 is an labelled intermediate in the synthesis of analogue of Axitinib, a tyrosine kinase inhibitor used for cancer therapy.
References Brown, D.W., et al.: Sci. Synthesis., 11, 573 (2002);

Applications Isotope labelled Ammonium Chloride is used as a main component and source of nitrogen in fertilizer.
References Crill, P. et al.: Soil Biol. Biochem., 26, 1331 (1994); Zaman, M. et al.: Biol. Fert. Soils, 29, 178 (1999);

Applications 4-(4-Chlorophenyl)cyclohexanol-d5 (cas# 1189961-66-7) is a compound useful in organic synthesis.

Applications 5-Nitro-6-methylaminoquinoline-d3 is an isotope labelled intermediate in the synthesis of carcinogen IQ and related 3H-imidazo[4,5-f]quinolines.
References Ronne, E., et al.: Acta. Chem. Scandinavica., 48, 823 (1994);

Applications 4-Chloro-6-nitrosoresorcinol-13C6 (cas# 953390-33-5) is a compound useful in organic synthesis.

Applications Labelled 2-Bromo-1,3-propanediol (B686665). Used for isolating bases by means of Reinecke's salt.
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 Dudley, H., et al.: Biochem. J., 27, 157 (1933),

Applications 5-Bromo-6-chlorobenzene-1,2,3,4-d4 is the isotope labelled compound of (B682312) which is a reagent in the preparation of arylpiperidines and aryltetrahydropyridines as 5-HT2C agonists.
References Conway, R.J., et al.: Bioorg. Med. Chem. Lett., 22, 2560 (2012)

Applications Intermediate for the synthesis of labelled Lercanidipine HCl

Applications Labelled Dapsone intermediate.
References Tingle, M., et al.: Brit. J. Clin. Pharmacol., 30, 829 (1990), Vage, C., et al.: Toxicol. App. Pharmacol., 129, 309 (1994),

Applications Isotope labelled Quinoline (Q700380), which is a starting material that may be transformed by bacteria and fungi to produce intermediates useful for the synthesis of drugs. Used in the synthesis of tertiary alcohol modulators of RORγ (1) which appears to have various biological functions. Also derivatives of quinoline have been seen to promote anticancer, antibacterial and antiviral activity, however quinoline itself is often seen as an environmental contaminant (2,3).Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
References 1. Kummer, D. et al.: Bioorg. Med. Chem. Lett. 2017 Feb 21.2. Ramirez-Prada, J. et al.: Eur J Med Chem. 2017 Mar 16;131:237-254.3. Mestankova, H. et al.: Water Res. 2016 Apr 15;93:110-20

Applications Ethyl 3-Methyl-2-butenoate-d6 (cas# 53439-15-9) 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 Toluene-2-d1 (CAS# 4409-84-1) is a useful isotopically labeled research compound. This compound can be used in preparation for various organic synthesis applications, and for determining deuterium isotopic effects in 13C NMR spectra of benzene derivatives.
References Zaidlewicz, M.,et.al., Sci. Synth, 6,921-943,(2004); Novak, P.,et.al., Magn.Reson.Chem., 34,610-615,(1996);

Applications 4-Fluoro-N-isopropylaniline-13C6 is an intermediate for the synthesis of Flufenacet-13C6 (F599422), labelled Flufenacet (F599420) which is an anilide based herbicide that is applied to the soil surface or incorporated before the crop is emerged. Flufenacet is often used in field corn, corn grown for silage or soybeans to control annual grasses and broadleaf weeds.
References Hulting, A.G., et al.: Weed. Technol., 26, 230 (2012); Bailly, G.C., et al.: Crop Protect., 34, 96 (2012)

Applications O-(2,3,4,5,6-Pentafluorobenzyl-alpha,alpha-d2)hydroxylamine HCl (CAS# 358730-85-5) is a useful isotopically labeled research compound.

Applications Hydrocinnamic-d5 Acid (phenyl-d5) (CAS# 35845-62-6) is a useful isotopically labeled research compound.

Applications Tryptamine-beta,beta-d2 HCl (CAS# 362049-48-7) is a useful isotopically labeled research compound.

Applications δ-Tocotrienol-d6 is labelled δ-Tocotrienol (T526195) which is a natural substance with vitamin E activity. It can work as an antioxidant. It inhibits the growth of human breast cancer cells.
References Sen, C., et al.: Life Sci., 78, 2088 (2006); Yoshida, Y., et al.: Chem. Phys. Lipids, 123, 63 (2005)

Applications Phenyltrimethyl-d9-ammonium Methane-d3-sulfonate is an intermediate in the synthesis of Oxycodone-d3 (O870603), a labelled Oxycodone (O870600), a controlled substance (opiate). Analgesic (narcotic).
References Mendelson, J., et al.: Clin. Pharmacol. Ther., 60, 105 (1996); Fudala, P., et al.: N. Engl. J. Med., 349, 949 (2003); Alho, H., et al.: Drug Alcohol Depend., 88, 75 (2007)

Applications 1-Bromohexane-1,1,2,2-d4 (CAS# 1219802-83-1) 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 Tetradecanoic-2,2-d2 Acid (CAS# 30719-21-2) is a useful isotopically labeled research compound.

Applications 5-Bromo-5-nitro-1,3-dioxane-d6 is the labelled analogue of 5-Bromo-5-nitro-1,3-dioxane (B697990), which is used in pest control in domestic textile hygiene, and is also commonly found in cosmetics.
References Sanchez-P, L., et al.: Anal. Bioanal. Chem., 401, 3293-04 (2011); Travassos, A.R., et al.: Contact Dermatitis, 65, 276-85 (2011);

Applications Heptanoic-5,5,6,6-d4 Acid (CAS# 352431-36-8) is a useful isotopically labeled research compound.

Applications N-Acetyl-L-alanine-3,3,3-d3 (CAS# 1485548-36-4) 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 2-Chloroethanol is used in the preparation of TTFTT (tetrathiafulvalene-2,3,6,7-tetrathiolate) and important building block in TTF syntheis. In addition, it is used in the synthesis of vinyltriazoles. This is the labeled analog.
Dangerous Goods Info This compound is forbidden to ship by air under IATA regulations.
References Svenstrup, N. et al.: Synthesis, 8, 809 (1994); Thibault, R. et al.: J. Am. Chem. Soc., 128, 12084 (2006);

Applications 1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]-ethanone-d7 Hydrochloride is labelled 1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]-ethanone Hydrochloride (D448195), an impurity of Isoprenaline (I874200, HCl salt) which is non-selective beta-adrenergic agonist. Isoprenaline is used in the treatment of bradycardia.
References Kikkawa, H. et al.: Biol. Pharmac. Bull., 17, 1047 (1994); Kral, P. et al.: Psychopharmacologia, 26, 79 (1972); Giles, R.E. et al.: J. Pharmacol. Exp. Ther., 186, 472 (1973)

Applications Acetophenone-d3 is an isotopic analog of acetophenone (A164015), a reagent used in the production of fragrances and resin polymers. This compound is a contaminant of emerging concern (CECs)
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 Perez, D., et al.; Bioorg. Med. Chem., 17, 6914 (2009), Giet, J., et al.: J. Agric. Food Chem., 57, 6787 (2009), Dimoula, K., et al.: Biotechnol. J., 4, 712 (2009),

Applications A volatile lactone found in fruits giving ripe produce their aroma.
References Tavori, H., et al.: Bioorg. Med. Chem., 16, 7504 (2008), Pandit, S., et al.: J. Sci. Food Agric., 89, 2071 (2009), Xiang, D., et al.: Biochem., 48, 2237 (2009), Pandit, S., et al.: Food Chem., 114, 363 (2009),

Applications Heptyl 5-Methyl-2-hexyl Phthalate-d4, is the labeled analogue of Heptyl 5-Methyl-2-hexyl Phthalate, a phthalate ester used as plasticizers and additives.
References Peterson, J.C., et al.: Int. J. Envrion. Anal. Chem., 18, 237 (1984);

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

Applications Labelled analogue 4-(2-Hydroxyethyl)morpholine, a morphiline derivative used in the preparation of ester prodrugs of naproxen. 4-(2-Hydroxyethyl)morpholine was also shown to induce repair in rat hepatocyte primary culture/DNA.

Applications Labelled Urea. Physiological regulator of nitrogen excretion in mammals; synthesized in the liver as an end-product of protein catabolism and excreted in urine. Also occurs normally in skin. Emollient; diuretic.
References Demetriou, A., et al.: Science, 233, 1190 (1986); Aebischer, P., et al.: Nat. Med., 2, 696(1996); Prakash, S., et al.: Biotechnol. Bioeng., 46, 621(1995);

Applications p-Toluic-2,3,5,6-d4 Acid (CAS# 1219798-71-6) is a useful isotopically labeled research compound.

Applications Isotope labelled Isopropyl DL-Mandelate is used in nonporous silica/alumina amorphous material. Pregabalin (P704800) impurity.
References Wang, Z. et al.:; ACS Catal., 3, 1573 (2013);

Applications m-Bromofluorobenzene-d4 is a labeled reagent useful for organic synthesis.

Applications N-Didesmethyl Loperamide-d4 is the isotope labelled analog of N-Didesmethyl Loperamide (D441135); a metabolite of the antidiarrheal Loperamide (L469450, HCl). Also a new and improved PET radiotracer for imaging P-gp function.
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 Stokbroekx, et al.: J. Med. Chem., 1, 782 (1973); Carter, J.E., et al.: Anal. Profiles Drug Subs., 19, 341 (1990); Rahman, A., et al.: Cancer Res., 54, 5543 (1994); Sai, Y., et al.: Xenobiotica, 30, 327 (2000); Eneroth, A., et al.: Eur. J. Pharm. Sci., 12, 205 (2001); Kim, K., et al.: Drug Metab. Dispos., 31, 1090 (2003)

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 4-Hydroxy-2,2,6,6-tetramethylpiperidine-d17-1-oxyl (CAS# 100326-46-3) is a useful isotopically labeled research compound.

Applications Tolan-d10 (CAS# 19339-46-9) is a useful isotopically labeled research compound.

Applications Isotope labelled 1-Pentene, used in the synthesis of iminosugars such as d-xylitol and l-arabinitol. Also usd in the synthesis of hydrazones of substituted salicylaldehydes.
E3
References Biela, A. et al.: Tetrahedron, 69, 3348 (2013); Ding, S. et al.: J. Coord. Chem., 66, 2023 (2013);

Applications n-Heptylbenzene-d20 (CAS# 634897-84-0) is a useful isotopically labeled research compound.

Applications Ethyl Cyanoacetate-13C3 is an intermediate used in the synthesis of 3-Hydroxypropionic Acid-13C3 Sodium Salt (H952481), which is an isotope labelled analogue of 3-Hydroxypropionic Acid Sodium Salt (H952480), which is beta hydroxy acid derived from plants and crops such as corn. 3-Hydroxypropionic Acid is used in the preparation of acrylates and biodegradable polymer polyester.
References Wang, Y. et al.: Biomacromol., 3, 828 (2002); Jiang, X. et al.: Appl. Microbiol. Biotech., 82, 995 (2009);

Applications 1-Iodopropane-1,1,2,2-d4 (CAS# 1219804-45-1) is a useful isotopically labeled research compound.

Applications 6-Chloro1,4-dihydro-1-methyl-4-phenyl-4-quinazolinol-13CD3 is the isotope labelled analog of 6-Chloro1,4-dihydro-1-methyl-4-phenyl-4-quinazolinol. 6-Chloro1,4-dihydro-1-methyl-4-phenyl-4-quinazolinol is used in hydroxyglycine reactions in determining a new synthetic route for phenylquinazoline derivatives.
References Hoefnagel, A.J., et al.: Tetrahedron, 49, 6899 (1993)

Applications 3-Aminobenzotrifluoride-D4 is a labelled analogue of 3-Aminobenzotrifluoride (A591720).
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 A labelled novel NO-donor of the N-nitrosoamines series. It is suitable for the preparation of N-nitrosoamines and their analogs.

Applications 3-Nitroaniline acts as an azo dye used in analytical toxicity studies. 3-Nitroaniline-2,4,5,6-d4 is the labeled version.
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 Garner, R.C. et al.: Mut. Res., et al 44, 9 (1977);

Applications Labelled Ethyl Acetate generally used as a solvent in organic reactions.Environmental contaminants; 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 Reyes, L. et al.: J. Org. Chem., 78, 2327 (2013); Noor, N. et al.: J. Mater. Chem. C., 2, 984 (2013);

Applications 4-tert-Butylaniline-d15 (CAS# 1219794-71-4) is a useful isotopically labeled research compound.

Applications 2,3-Dihydro-5-benzofuranethanol-d4 (cas# 1185079-36-0) 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 1,3-Diethylbenzene-d14 (CAS# 1219803-40-3) is a useful isotopically labeled research compound.

Applications (S)-Carbidopa Methyl-d3 Ester N-cyclohexylidene is the labeled analogue of (S)-Carbidopa Methyl Ester N-cyclohexylidene (C176015), an impurity of Carbidopa (C175915), a prodrug inhibitor of aromatic amino acid decarboxylase.
References Sletzinger, M., et al.: J. Med. Chem., 6, 101 (1963)

Applications 1-Chloro-2-(α-chlorophenylmethyl)benzene-d5 is the isotope labelled analog of 1-Chloro-2-(α-chlorophenylmethyl)benzene (C427570); a reagent in the synthesis of bifonazole analogs which have antibacterial and antifungal activities. It is also used in the preparation of diphenylpiperazine N-type calcium channel inhibitors.
References El Hage, S., et al.: Arch. Pharm., 344, 402 (2011); Pajouhesh, H., et al.: Bioorg. Med. Chem. Lett., 20, 1378 (2010)

Applications Phthalic Acid Bis(3,7-dimethyloctyl) Ester-d4 is the isotope labelled analog of Phthalic Acid Bis(3,7-dimethyloctyl) Ester (P384535); a diester derivative of Phthalic Acid (P384480) which can be used as a plasticizer for PVC-type compositions.
References Takeuchi, H., et al. Jpn. Kokai Tokkyo Koho. JP 2001002829 A 20010109. Jan 9, 2001