Deuterated Compounds

Applications O-Demethoxypropane Aliskiren-d6 is the labeled analog of O-Demethoxypropane Aliskiren is an impurity of Aliskiren Hemifumarate (A536001), an orally active, synthetic nonpeptide renin inhibitor. Antihypertensive.
References Kumar, N.U., et. al.: Chem. Biol. Interface, 3, 304 (2013); Lefevre, G., et al.: J. Immunoassay, 21, 65 (2000); Allikments, K., et al.: Curr. Opin. Invest. Drugs, 3, 1479 (2002); Wood, J.M., et al.: Biochem. Biophys. Res. Commun., 308, 698 (2003); Grandman, A.H., et al.: Circulation, 111, 1012 (2005)

Applications O-Desaryl Ranolazine-d5 is the isotope labelled analog of O-Desaryl Ranolazine (D422050); a metabolite of Ranolazine (R122500).
References Chaitman, B.R., et al.: J. Am. Coll. Cardial., 43, 1375 (2004); McCormack, J.G., et al.: Gen. Pharmacol., 30, 639 (1998); Schofield, J.A.H., et al.: Expert Opin. Invest. Drugs, 11, 117 (2002)

Applications Ledipasvir-d6 is labelled Ledipasvir (L320100) which is most commonly used in combination with sofosbuvir for treatment in chronic hepatitis C genotype 1 patients. It inhibits an important viral phosphoprotein, NS5A, which is involved in viral replication, assembly, and secretion.
References Lawitz, E., et al.: J. Hepatol., 57, 24 (2012); Afdhal, N., et al.: New England J. Med., 370, 1889 (2014)

Applications Tetracosanoic-9,9,10,10-d4 Acid (CAS# 1219794-61-2) is a useful isotopically labeled research compound.

Applications 1-Bromopropane-3,3,3-d3 is labelled 1-Bromopropane (B687135) which is used as a solvent and for the cleaning of metal surfaces, removal of soldering residues from electronic circuit boards. It is anticipated to be human carcinogen.
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 Lingyo Zh., et al.: Toxicology, 304, 76 (2013); Samukawa, M. et al.: Archives Internal Med., 172(16), 1257 (2012);

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 (Ethoxycarbonylmethyl)triphenylphosphonium-13C2 bromide is an intermediate in the synthesis of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone-13C5, which is an isotope labelled Mutagen X (MX) is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system.
References Hakulinen, P., et al.: Toxicol. Lett., 151, 439 (2004), Richardson, S., et al.: Mutat. Res., 636, 178 (2007), Kim, J., et al.: Environ. Toxicol., 23, 319 (2008),

Applications Quinoxaline-5,6,7,8-d4 (CAS# 64252-08-0) is a useful isotopically labeled research compound.

Applications 2-(2-((4-Isopropylphenyl)amino)phenyl)propan-2-ol-d6 is an intermediate in the synthesis of 2,7-Diisopropyl-9,9-dimethyl-9,10-dihydroacridine-d6 (D455762), which is a labeled analogue of 2,7-Diisopropyl-9,9-dimethyl-9,10-dihydroacridine (D455760), a useful chemical reagent. Also, it is derived from 9,9-Dimethyl-9,10-dihydroacridine (D474300), which are currently being used in the development of thermally activated delayed fluorescence (TADF) molecules which are being researched for their possible efficient deep-​blue TADF emitting potential.
References Kwon, D.Y., et al.: J. Nanosci. Nanotechnol., 15, 7828-31 (2015); Wada, Y., et al.: Adv. Mater., 30 (2018).

Applications Tetrahydrothiophene-2,2,5,5-d4 (CAS# 31081-24-0) is a useful isotopically labeled research compound.

Applications 2,3-Butane-1,1,1,4,4,4-d6-diol (CAS# 344750-80-7) is a useful isotopically labeled research compound.

Applications N-t-Boc-valacyclovir-d8 is an intermediate in the synthesis of Valacyclovir-d8 Hydrochloride, a labeled impurity of Acyclovir (A192400), an orally active acyclic nucleoside with inhibitory activity towards several herpes viruses. 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 N-Acetyl-2,6-dichlorodiphenylamine-d5 is labelled N-Acetyl-2,6-dichlorodiphenylamine (A173570) which is an impurity of diclofenac (D436450, Na salt), a nonsteroidal anti-inflammatory compound and decycloxygenase (COX) inhibitor.
References Kenny, J. R., et al.: J. Med. Chem., 47, 2816 (2004); Sasaki, A., et al.: J. Pharmacol. Sci., 108, 266 (2008); Dalvie, D., et al.: Chem. Res. Toxicol., 22, 357 (2009)

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 Thiophene-2,5-d2 (CAS# 2041-42-1) is a useful isotopically labeled research compound.

Applications 4-​(Dimethyloxidoamino)​butanoic Acid-d6 Hydrochloride is the 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.
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)

Applications 2,4-Dimethylphenol is used both as a pesticide to ward of insects or other common pests from crops from crops as well as in the synthesis of anti-oxidant compounds due to the phenol moiety in the structure. This is a labelled analog.
References Liu, B. et al.: J. Agri. Chem., 58, 2673 (2010); Guillen, M. et al.: J. Agri. Chem., 47, 3016 (1999); Guillen, M. et al.: J. Agri. Chem., 46, 1276 (1999); Kim, S. et al.: J. Agri. Chem., 59, 4570 (2011);

Applications Isotope labelled Hexadecyltrimethylammonium Bromide (CTAB) (H293860), is a cationic surfactant used as a template in the synthesis of Mesoporous γ-Fe2O3.
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 Yu, H.-h., et al.: Gongneng Cailiao, 42, 2005 (2011),

Applications 4-n-Butylaniline-2,3,5,6-d4,ND2 (CAS# 1219794-75-8) is a useful isotopically labeled research compound.

Applications Sodium Methanesulfonate-d3,13C is an intermediate used in the synthesis of Methanesulfonyl Chloride-d3,13C (M258847), which is a labeled analogue of Methanesulfonyl Chloride (M258845). Methanesulfonyl Chloride used in the synthesis of phosphodiesterase 9A Inhibitors, used in treatments for Alzheimer’s disease. It is also used in the preparation of sulfonamide derivatives showing antibacterial activity.
References Reddy, N. et al.: J. Chem. Sci., 124, 723 (2012); Claffey, M. et al.: J. Med. Chem., 55, 9055 (2012);

Applications Bis(1-ethylpentyl) Phthalate-d4, is the labeled analogue of Bis(1-ethylpentyl) Phthalate (B433990), one of the phthalate esters, which are ubiquitous environmental contaminants that interact with peroxisome proliferator-activated receptors (PPARs), a family of nuclear receptors. It is used as a plasticizer to impart softness and flexibility to PVC products.
References Kaya, T., et al.: Chem. Res. Toxic., 19 (8), 999 (2006); Matter, H., et al.: Bioorg. Med. Chem., 20 (18), 5352 (2012);

Applications 1,2,3,4-Tetramethylbenzene-d14 (CAS# 350818-60-9) is a useful isotopically labeled research compound.

Applications 1-(2-Aminophenyl)-2-chloroethanone-13C8 is an intermediate in the synthesis of Indole-3-carboxaldehyde-13C8 (I614993), the labelled version of Indole-3-carboxaldehyde (I615020) which is a tryptophan (T947200) metabolite from Streptomyces staurosporeus and it is chemical constituent from Inula wissmanniana. Indole-3-carboxaldehyde and other tryptophan metabolites play an important role in mammalian gut immune homeostasis.
References Yang, S., et al.: J. Nat. Prod., 60, 44 (1997); Cheng, X. et al.: Chem. Nat. Compd., 49, 815 (2013); Zelante, T., et al,: Immunity, 39, 372 (2013)

Applications 4,4'-Dimethoxybenzophenone-d8 (rings-d8) (CAS# 350818-55-2) is a useful isotopically labeled research compound.

Applications 1,3-Dibromo-5-fluorobenzene-d3 (CAS# 1219805-87-4) is a useful isotopically labeled research compound.

Applications Ursolic Acid-d3 is labelled Ursolic Acid(U850100) which is a Triterpene acid used in cosmetics. It also has STAT3 pathway inhibiting properties.
References Lee, C., et al.: Bioorg. Med. Chem. Lett., 20, 7354 (2010), Lee, A., et al.: J. Agric. Food Chem., 58, 12941 (2010), Pethakamsetty, L., et al.: J. Pharm. Res., 3, 193 (2010),

Applications Cuprous Cyanide-15N is an intermediate in the synthesis of Bictegravir-15N, d2 (B382096), which is the labeled version of Bictegravir, which is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM.
References Tsiang M. et al.: Antimicrob Agents Chemother. 2016 Nov 21;60(12):7086-7097;

Applications A trapping agent used in the desulfenylation of 3-indolyl sulfides.
References Miller, C., et al.: Environ. Sci. Technol., 43, 8548 (2009), Mecinovic, J., et al.: Anal. Biochem., 393, 215 (2009), Zarghi, A., et al.: Bioorg., Med., Chem., 17, 5369 (2009),

Applications (±)-2-Ethylhexanoic-d15 Acid (CAS# 352431-38-0) is a useful isotopically labeled research compound.

Stability Extremely Volatile
Applications 1-Hexene-d3, an isotopically labelled 1-Hexene, is used in the synthesis of ethylene polymers and copolymers. An olefin used to synthesize diols through oxidation reactions.
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 Tao, X. et al.: Organometal., 32, 4185 (2013); Clerici, M. et al.: J. Catal., 140, 71 (1993);

Applications Glyceryl Tri(octadecanoate-d35) (CAS# 125941-88-0) is a useful isotopically labeled research compound.

Applications Isotope labelled N-1-Naphthylethylenediamine Dihydrochloride, is an organic building block used for the chemical synthesis. It can also be used as highly selective organic fluorescent probe for azide ion.
References Sahana, A., et al.: Analyst , 137, 1544 (2012);

Applications 4-Fluorobenzoyl-d4 Chloride (CAS# 1071809-52-3) is a useful isotopically labeled research compound.

Applications Labelled L-α-Dilauroyl Phosphatidylcholine forms robust and versatile membrane bilayers to study the selective and ATP-driven transport ions across membranes into nanoporous carriers using gramicidin A and ATP synthase. It is used in the preparation of other phosphatidylcholines.
References Tomoi, M. et al.: Synth. Comm., 19, 905 (1989); Ichihara, K. et al.: Chem. Phys. Lipids., 137, 94 (2005); Olliynyk, V., et al.: Phys. Chem. Chem. Phys., 15, 2733 (2013); Podloucka, P., et al.: J. Phy. Chem. B., 117, 5043 (2013);

Applications Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 Acid (CAS# 1173022-49-5) is a useful isotopically labeled research compound.

Applications n-Dodecyltrimethylammonium-d34 Bromide (CAS# 2259752-12-8) is a useful isotopically labeled research compound.

Applications L-Homocitrulline-2,6,6-d3 is a labeled compound of L-Homocitrulline (H590900) which is an amino acid present in milk products.
References Evered, D. & Vadgama, J.: Br. J. Nutr., 49, 35 (1983); Paik, W., et al.: Int. J. Biochem., 8, 317 (1977)

Applications Methylcyclohexane-D14 (D, 99.5%) (cas# 10120-28-2) is a useful research chemical.
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 rac-cis-N-Desmethyl Sertraline-d3 hydrochloride is a labelled metabolite of rac-cis-N-Desmethyl sertraline hydrochloride (D292100). N-Desmethyl sertraline is significantly less active analogue as compared to the methylated compound, sertraline.
References Welch, W.M., et al.: J. Med. Chem. 27, 1508 (1984)

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

Applications Tuberculostearic Acid Ethyl-d5 Ester is labelled Tuberculostearic Acid Ethyl Ester (T897095), the ethyl ester of Tuberculostearic Acid (T897090) which is a saturated fatty acid produced by Actinomycetales bacteria.
References Frencha, G., et al.: The Lancet, 330, 117 (1987)

Applications Benzyl Octyl Adipate-d17, is the labeled analogue of Benzyl Octyl Adipate (B285580), which is used as plasticizer. It can also be used for the synthesis of orally effective acid prodrugs of the β-Lactamase inhibitor Sulbactam (S699185).
References Sorokin, G. A., Plasticheskie Massy, 25 (1976); Kraus, A., Farbe + Lack,60, 185 (1954); English, A. R., et al.: J. Med. Chem., 33, 344 (1990);

Applications 1,3-Dichlorobenzene (D4, 98%) (cas# 2199-70-4) is a useful research chemical.

Applications N-1-Butyl-d9-1-demethylethyl Torsemide is labelled N-1-Butyl-1-demethylethyl Torsemide (B692375) which is an impurity of Torsemide (T548750), diuretic.
References Lesne, M., et al.: In. J. Clin. Pharmacol. Ther. Toxicol., 20, 382 (1982), Brater, D.C., et al.: Clin. Pharmacol. Ther., 42, 187 (1987),

Applications 2-Chloropropane-2-d1 (CAS# 53778-42-0) is a useful isotopically labeled research compound.

Applications Labelled Methyl Methanethiosulfonate (M321500). Used for the rapid and selective modification of sulfhydryl groups of enzymes. Useful for mapping the pore-lining regions of the ryanodine receptor.
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 Stauffer, D.A., and Karlin, A.: Biochemistry, 33, 6840 (1994), Yang, N. et al.: Neuron, 16, 113 (1996), Kuner, T. et al.: Neuron, 17, 343 (1996), Ehrlich, B.E., et al.: J. Gen. Physiol., 109, 255 (1997), Dunten, R.L., et al.: Biochemistry, 32, 3139-3145 (1993)

Applications 2,2'-Bipyridyl-d8 was a useful compound in the NMR study of soft porous nanocrystal and a bulk crystal.
References Hijikata, Y., et al.: Chem. Commun. (Cambridge, UK), 47, 7632 (2011)

Applications n-Dodecyl-d25-phosphocholine (CAS# 861924-55-2) is a useful isotopically labeled research compound.

Applications Cyclopropylmethyl-d2 Alcohol (CAS# 90568-07-3) is a useful isotopically labeled research compound.

Applications 2-(Ethyl-d5)hexanoic Acid 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 Testosterone Octanoate-d15 is the isotope analog of Testosterone Octanoate. Testosterone Octanoate is a metabolite of tesosterone (T155000), which is used in biological studies to determine the hemolytic and lipophilic activity of this anabolic steroid.
References Biagi, G.L., et al.: J. Med. Chem., 13, 944 (1970); Biagi, G. L., et al.: J. Med. Chem., 18, 873 (1975)

Applications Labelled Hydroquinone (H714715). Hydroquinone is used as photographic reducer and developer; as reagent in the determination of small quantities of phosphate; as antioxidant. Depigmentor.
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 Woodard, et al.: Fed. Proc., 8, 348 (1949), Kari, F.W., et al.: Food Chem. Toxicol., 30, 737 (1992),

Applications Labelled 2-(3,4-Dimethoxyphenyl)-N-methylethylamine (D470710, free amine) which is a methylated metabolite of Dopamine (D533780); a potent inhibitor of brain mitochondrial respiration used in Parkinson’s disease studies.
References Gluck, M.R. et al.: J. Neurochem., 91, 788 (2004); Charlton, C.G. et al.: Life Sci., 66, 2159 (2000);

Applications Octanoic-2,2-d2 Acid (CAS# 64118-36-1) is a useful isotopically labeled research compound.

Applications 2-(2-Butylamino)ethanol-d4 is labelled 2-(2-Butylamino)ethanol (B693945) which is an intermediate used to prepare 2-arylimino-1,3-thiazolidines as progesterone receptor binding ligands.
References Dixon, B., et al.: U.S., US 6353006 B1 20020305 (2002)

Applications cis-3-Hexen-1-ol-D2 is a labelled analogue of cis-3-Hexen-1-ol (H295005). cis-3-Hexen-1-ol is a naturally occuring compound that has the smell of freshly cut grass and is used to obtain a “green” taste/smell in certain flavours and fragrances.
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 Dahill Jr., R.: J. Chem. Eng. Data, 17, 399 (1972); Serra, S., et al.: Trends Biotechnol., 23, 193 (2005)

Applications Phenol is purified here for molecular genetics applications. It is naturally found in tea leaves and plants, and has uses in the synthesis of antioxidant compounds due to the antioxidant activity caused by the phenol moiety. This structure also allows it to be used for syntheses of anti-bacterial & anti-carcinogenic compounds. This is the labelled analog.
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 Nam, S. et al.: J. Agri. Chem., 60, 9097 (2012); Xia, J. et al.: J. Agri. Chem., 57, 99 (2009); Khanal, P. et al.: Carcinogenesis, 32, 545 (2011);

Applications Isotope labelled Ethyl 3-Hydroxybutyrate is a useful synthetic intermediate. It is a reagent used to synthesize α-azido carboxylic acids. It is also used in Palladium mediated spiroketal synthesis.
References Evans, D., et al.: J. Am. Chem. Soc., 112, 4011 (1990); Conway, J., et al.: Tetrahedron, 61, 11910 (2005)

Applications 3-Chloro-6-(chloromethyl)benzene-1,2,4,5-d4 is an isotope-labeled analog of 4-Chlorobenzyl Chloride (C364730), which is a benzylchloride derivative used in the preparation of various biologically active compounds such as bronchodilators and antibacterial agents.
References Adams, M. et al.: Synth. Comm., 29, 2419 (1999); Foroumadi, A. et al.: Arch. Pharm. Res., 30, 138 (2007);

Applications n-Nonyl-6,6,7,7-d4 Alcohol (CAS# 33975-46-1) is a useful isotopically labeled research compound.

Applications 4-Fluorobenzyl-alpha,alpha-d2 Chloride (CAS# 1219804-18-8) is a useful isotopically labeled research compound.

Applications Tetrahydro-4H-pyran-4-ol-3,3,4,5,5-d5 (CAS# 1219795-46-6) is a useful isotopically labeled research compound.

Applications N,N-Bis(2-chloroethyl)benzenesulfonamide-d5 is the isotope labelled analog of N,N-Bis(2-chloroethyl)benzenesulfonamide (B418910); a novel intermediate in the synthesis of Cetirizine (C281100).

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 Tuberculostearic Acid Methyl-d3 Ester is labelled Tuberculostearic Acid Methyl Ester (T897100), the methyl ester of Tuberculostearic Acid (T897090) which is a saturated fatty acid produced by Actinomycetales bacteria.
References Frencha, G., et al.: The Lancet, 330, 117 (1987)

Applications 5-Formylfuran-2-carboxylic Acid-13C6 is an isotope labelled form of 5-Formylfuran-2-carboxylic Acid(F700500).
References Nocito, F., et al.: ACS Omega, 3, 18724 (2018); Chen, G., et al.: Ind. Eng. Chem. Res., 57, 16172 (2018)