Toxicology

<p>Applications An amine reactive trifunctional cross linker.<br></p>

<p>Applications Hopantenate Calcium-d6 is labeled analogue of Hopantenate Calcium (H669565), which is a central nervous system drug. In its calcium salt form, it used to be used for a variety of neurological, psychological and psychiatric conditions in Russia. Hopantenic Acid is also the amide of D-pantoate and γ-aminobutyric acid (GABA).<br>References Kopelevich, V.M., et al.: Pharm. Chem. J., 5, 534 (1971)<br></p>

<p>Applications A protected metabolite of Testosterone (T155000) in humans and animals.<br>References Demisch, K. et al.: Eur. J. Biochem., 8, 284 (1969); Fernandez, C. et al.: J Chrom. B Biomed. Appl., 677, 363 (1996); Capolongo, F. et al.: J. Vet. Pharmacol. Therap., 26, 160 (2003);<br></p>

<p>Applications A labelled metabolite of Carnitine used in diagnostic screening of patients with inherited disorders of fatty acid oxidation.<br>References Johnson, D.W. et al.: Chem. Phys. Lipids, 129, 161 (2004);<br></p>

<p>Applications (2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-methoxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide-d2, 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.<br>References Tsiang M. et al.: Antimicrob Agents Chemother. 2016 Nov 21;60(12):7086-7097;<br></p>

<p>Stability Light Sensitive<br>Applications 2,4,5-Trichloro-1,3-benzenedicarbonitrile is a degradation product of Chlorothalonil (C411250).<br> Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package<br>References Bakke, J., et al.: Science, 210, 433 (1980), Aschbacher, P., et al.: Xenobiotica, 17, 1047 (1987), Chadwick, R., et al.: Drug Metab. Dispos., 24, 425 (1992), Wallin, A., et al.: Toxicol. Pathol., 21, 443 (1993),<br></p>

<p>Applications Labelled analogue of Fenthion Sulfoxide, the sulfoxide anlogue and metabolite of the organothiophosphate insecticide Fenthion (F278000).<br> Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package<br>References Wallnoefer, P. et al.: Pflanzensch.-Nach., 29, 236 (1976); Minelli, E.V. et al.: J. Agric. Food. Chem., 44, 936 (1996);<br></p>

<p>Applications 17α-Cyanomethyl-19-nortestosterone is a metabolite of Norethindrone (N676000), an progesteron used in combination with estrogen as contraceptive.<br>References Oettel, M., et al.: Pharmazie., 48, 541 (1993); Wong, T.C., et al.: J. Chem. Soc., Perk. Trans., 5, 765 (1988); Schubert, K., et al.: Org. Chem., 20, 143 (1985);<br></p>

<p>Applications 4,5-Dimethyl-N-2-propen-1-yl-3-thiophenecarboxamide is a derivative of Silthiofam (S465070(M)), which is a fungicide.<br>References Asrar, J., et al.: PCT Int. Appl. (2003), WO 2003026421 A1<br></p>

<p>Applications A benzodiazepine derivative that possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a precursor to Desmethyldiazepam (D291595) and is equal to or more effective than Diazepam (D416855) with a lower frequency of side effects.Controlled Substance.<br>References Fann, W.E. et al.: Pharmacother., 2, 72 (1982); Greenblatt, D.J. et al.: Lancet, 1, 1358 (1982);<br></p>

<p>Applications Mucochloric Acid is an intermediate product of the herbicide Burex that can cause poisioning and skin damage upon exposure. Mucochloric Acid is also a chlorine disinfection byproduct in drinking water with mutagenic activity.<br>References Kolesar, D. et al.: Bratsilav. Lek. Listy, 64, 132 (1978); Romancik, V.E.: Ces.-Slov. Hyd., 21, 319 (1976); Jansson, K. et al.: Environ. Mol. Mutagen., 25, 284 (1995);<br></p>

<p>Applications O-Ethyl O-Phenyl S-Propyl Phosphorothioate is an organophosphates pesticide/insecticide. A pesticide in herbal medicines.<br>References Nie, C., et al.: Jingxi Huagong Zhongjianti, 38, 59 (2008); Bi, F., et al.: Huaxue Gongye Yu Gongcheng, 18, 156 (2001); Ivashina, S. A.: Gigiena i Sanitariya, 11, 76 (1984)<br></p>

<p>Applications A labelled metabolite of Estradiol (E888000).<br>References Zhu, B., et al.: Steroids, 70, 225 (2005); Enmark, E., et al.: J. Clin. Endocrinol. Metab., 82, 4258 (1997);<br></p>

<p>Applications O,O,O-Trimethyl-O-(3,5,6-trichloro-2-pyridinyl)diphosphosrodithioate is an impurity of Chlorpyrifos (C425300), an insecticide; acaricide.<br>References Smith, G.N., et al.: J. Agric. Food Chem., 15, 132 (1967); Schafer, et al.: Toxicol. Appl. Pharmacol., 21, 315 (1972)<br></p>

<p>Applications N-Acetyl-S-benzyl-DL-cysteine (cas# 19538-71-7) is a useful research chemical.<br></p>

<p>Stability Hygroscopic<br>Applications A metabolite of Daidzein.<br>References Cassidy, A., et al.: J. Clin. Nutr., 60, 333(1994), Pereira, M., et al.: Carcinogenesis, 15, 1049 (1994), Shah, V., et al.: Pharm. Res., 17, 1551 (2000),<br></p>

<p>Applications 2,2'-Dinaphthyl Ether and ethers exhibit antifungal activity against A. niger, A. flavus, A. alternata and F. oxysporum.<br>References Pawar, N., et al.: Asian J. Biochem. Pharm. Res., 2, 157 (2012)<br></p>

<p>Applications 5-Oxo-1,3-dioxolane-4,4-diacetic Acid is used as a reagent to synthesize vibrioferrin, a siderophore. It can also be used as a building block of lipophilic isosteres of nucleoside triphosphates which are potential inhibitors of HIV reverse transcriptase.<br>References Takeuchi, Y., et al.: Chem. Pharm. Bull., 47, 459 (1999); Weaver, R., et al.: Bioorg. Med. Chem. Lett., 6, 2405 (1996)<br></p>

<p>Applications N,N'-(Ethane-d4-1,2-diyl)bis(2-(2,6-dimethylphenoxy)acetamide) is the labeled analogue of N,N'-(Ethane-1,2-diyl)bis(2-(2,6-dimethylphenoxy)acetamide) (E890330), an impurity of Lopinavir (L469480), a selective HIV protease inhibitor. An analogue of Ritonavir. Antiviral.<br>References Sham, H.L., et al.: Antimicrob. Ag. Chemother., 42, 3218 (1998); Kumar, G.N., et al.: Drug Metab. Dispos., 27, 86 (1999); Murphy, R.L., et al.: Antiviral Ther., 4, Suppl. 3, 85 (1999)<br></p>

<p>Impurity Clarithromycin EP Impurity E<br>Applications 6,11-Di-O-methyl Erythromycin (Clarithromycin EP Impurity E) is a Di-O-alkyl Erythromycin (E649950) is an impurity of Clarithromycin (C559750). Clarithromycin impurity E per British Pharmacopoeia.<br>References Morimoto, S. et al.: J. Antibiot., 43, 286 (1990); Kohno, Y. et al.: J. Antimicrob. Chemother., 26, 503 (1990);<br></p>

<p>Applications Carboxytolbutamide-d9 (butyl-d9) (CAS# 1219802-95-5) is a useful isotopically labeled research compound.<br></p>

<p>Applications N2-Methyl Trimethoprim-D3 is a labelled analogue of N2-Methyl Trimethoprim (M331190).<br></p>

<p>Applications Trimethoprim-13C3 (T795616) derivative. Antibacterial properties.<br></p>

<p>Applications p-Chloroaniline-d4 Deuterium Chloride is an intermediate in synthesizing N1-(4-chlorophenyl)-3,12-diimino-N14-2-chlorophenyl-2,4,11,13-Tetraazatetradecanediimidamide-d4 (C377537), an isotope labelled analog of N1-(4-chlorophenyl)-3,12-diimino-N14-2-chlorophenyl-2,4,11,13-Tetraazatetradecanediimidamide. N1-(4-chlorophenyl)-3,12-diimino-N14-2-chlorophenyl-2,4,11,13-Tetraazatetradecanediimidamide is an impurity of Chlorhexidine Digluconate (C292770). Chlorhexidine gluconate is an antimicrobial irrigant that is used as an antiseptic for the skin in the healthcare industry. It is used in hospitals to prevent infection of patients during surgeries and can also be found in mouth rinses.<br>References Addy, M. &amp; Wright, R.: J. Clin. Periodont., 5, 198 (1978); Kuruvilla, J. &amp; Kamath, M.: J. Endododont., 24, 472 (1998); Maki, D., et al.: Lancet, 338, 339 (1991); Popovich, K., et al.: Inf. Cont. Hosp. Epidem., 30, 959 (2009); Rosenberg, A., et al.: Surg. Gyn. Obst., 143, 789 (1976)<br></p>

<p>Applications A labelled impurity of Estradiol (E888000).<br>References Zhu, B., et al.: Steroids, 70, 225 (2005), Enmark, E., et al.: J. Clin. Endocrinol. Metab., 82, 4258 (1997),<br></p>

<p>Applications Cefdinir Thiazine Analog is hydrolytic degradation product of Cefdinir (C242670).<br>References Okamoto, Y., et al.: J. Pharm. Sci., 85, 976 (1996)<br></p>

<p>Applications 4-(Trifluoromethoxy)benzoic Acid-13C is labeled 4-(Trifluoromethoxy)benzoic Acid (T790720) which is a substituted benzoic acid used in the preparation of a various biologically active compounds such as antifungal and antimalarial agents.<br>References Jiang, Y. et al.: Bioorg. Med. Chem. Lett., 21, 4471 (2011); Herrin, T.R. et al.: J. Med. Chem., 18, 1216 (1975);<br></p>

<p>Applications Pyrazosulfuron-ethyl<br></p>

<p>Stability Hygroscopic<br>Applications Emtricitabine Triphosphate Triethylammonium Salt is a metabolite of (-)-Emtricitabine (E525000).<br>References Barditch-Crovo, P., et al.: Antimicrob. Agents Chemother., 45, 2733 (2001); Ray, A., et al.: Antivir .Ther., 10, 451 (2005); Borroto-Esoda, K., et al.: Antivir. Ther., 11, 377 (2006)<br></p>

<p>Applications (±)-Betaxolol-d7 HCl (iso-propyl-d7) (CAS# 1219802-92-2) is a useful isotopically labeled research compound.<br></p>

<p>Applications (±)-Carvedilol-d4 (ethyl-d4) (CAS# 1133705-56-2) is a useful isotopically labeled research compound.<br></p>

<p>Applications Nitroethane-2,2,2-d3 (CAS# 1219802-04-6) is a useful isotopically labeled research compound.<br></p>

<p>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.<br>References Welch, W.M., et al.: J. Med. Chem. 27, 1508 (1984)<br></p>

<p>Applications (±)-Zopiclone-d3 (N-methyl-d3) (CAS# 1398066-10-8) is a useful isotopically labeled research compound.<br></p>

<p>Applications Aprindine is a long-acting antiarrhythmic agent, effective when administered orally or intravenously in the treatment of ventricular arrhythmias of varying etiologies.<br>References Danilo, P. Jr., et al.: Am. Heart. J., 97, 119 (1979); Atarashi, H., et al.: Circulation. J., 66, 553 (2002);<br></p>

<p>Applications An optically active metabolite of Tramadol.<br>References Garrido, M., et al.: J. Pharmacol. Exp. Ther., 305, 710 (2003), Pedersen, R., et al.: Eur. J. Clin. Pharmacol., 62, 513 (2006),<br></p>

<p>Applications Chloramphenicol-3-O-sulfate Sodium Salt is a salt version of Chloramphenicol-3-O-sulfate (CAS 116512-90-4) which can be used in study for evidence for new metabolic pathways of Chloramphenicol in the duck. Metabolite of the drug Chloramphenicol (C325030).<br>References Cravedi, J. P., et al.: Drug Metab Dispos, 22, 578 (1994)<br></p>

<p>Stability Hygroscopic<br>Applications Atorvastatin (A791750) impurity.<br>References Kearney, A.S., et al.: Pharm. Res., 10, 1461 (1993); Heinonen, T.M., et al.: Clin. Ther., 18, 853 (1996);<br></p>

<p>Applications 2-Des(5-methyl-1,3,4-oxadiazole-2-carboxamide) 2-(2-(2-Acetylhydrazinyl)-2-oxoacetamide) Raltegravir is an impurity of a potent human immunodeficiency virus (HIV) integrase inhibitor. A novel anti-AIDS drug.<br>References Wade, K., et al.: J. Pharmacol. Biomed. Anal., 8, 401 (1990), Hazuda, D., et al.: Science, 287, 646 (2000), Williams, J., et al.: Drug Metab. Dispos., 32, 1201 (2004), Duckett, C., et al.: Xenobiotica, 36, 59 (2006), Miners, J., et al.: Biochem. Pharmacol., 71, 1531 (2006), Summa, V., et al.: J. Med. Chem., 49, 6646 (2006),<br></p>

<p>Applications (Z)-Benzyl (2-Amino-2-(hydroxyimino)ethyl)carbamate is an intermediate used in the synthesis of N-((5-Hydroxy-6-oxo-4-((2,4,6-trifluorobenzyl)carbamoyl)-1,6-dihydropyrimidin-2-yl)methyl)-1,3,4-oxadiazole-2-carboxamide (H950690), which is a derivative of Raltegravir (R100305), a potent integrase (IN) inhibitor for WT and S217Q PFV IN.<br>References Hare, S., et al.: Proc. Natl. Acad. Sci. U. S. A., 107, 20057 (2010); Hicks, C., et al.: Clin. Infect. Dis., 48, 931 (2009); Moss, D., et al.: Antimicrob. Agents Chemother., 56, 3020 (2012); Hare, S., et al.: Mol. Pharmacol., 80, 565 (2011)<br></p>

<p>Applications (3aR,4R,6aS)-4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one is an isomer of an impurity of Darunavir (D193500), a second generation HIV-1-protease inhibitor; structurally similar to amprenavir. Antiviral.<br>References Koh, Y., et al.: Antimicrob. Agents Chemother., 47, 3123 (2003), Arasteh, K., et al.: AIDS, 19, 943 (2005); Surleraux, D.L.N.G., et al.: J. Med. Chem., 48, 1813 (2005)<br></p>

<p>Stability Hygroscopic<br>Applications Tixocortol is an anti-inflammatory agent. Tixocortol is used in fluorescent chemoaffinity labeling.<br>References Torossian, D.R., et al.: Arzneim.-Forsch., 31, 453 (1981),<br></p>

<p>Stability Hygroscopic, Moisture Sensitive<br>Applications 1-​[1-​(4-​Chlorobenzoyl)​-​5-​hydroxy-​2-​methyl-​1H-​indole-​3-​acetate]β-​D-​Glucopyranuronic Acid is an analog of Indomethacin Acyl-β-D-glucuronide a metabolite of Indomethacin (I641000). Acyl glucuronides have been implicated in the toxicity of many xenobiotics and marketed drugs.<br>References Abid, A., et al.: Biochem. Pharmacol., 50, 557 (1995), Gamage, N., et al.: Toxicol. Sci., 90, 5 (2006), Cerveny, L., et al.: Drug Metab. Dispos., 35, 1032 (2007), Hayeshi, R., et al.: Eur. J. Pharm. Sci., 35, 383 (2008),<br></p>

<p>Impurity Fulvestrant Impurity E;<br>Applications Fulvestrant (F862500) impurity E.<br></p>

<p>Applications 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid Ethyl Ester is a derivative in the synthesis of Flucloxacillin (F419200), a new semisynthetic penicillin with broad spectrum of antibacterial activity.<br>References Macsari, I., et al.: Bioorg. Med. Chem. Lett., 21, 3871 (2011); Cui, Y., et al.: Curr. Sci., 89, 531 (2005);<br></p>

<p>Applications Most ethyl alcohol is used in alcoholic beverages in suitable dilutions. Other uses are as solvent in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery, in organic synthesis. Used as antiseptic.<br> Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package<br>References Wiberg, G.S., et al.: Toxicol. Appl. Pharmacol., 16, 718 (1970), Brown, N.A., et al.: Science, 206, 573 (1979),<br></p>

<p>Applications Loratadine (L469575) impurity. Used for preparation of tricyclic amides and ureas useful for inhibition of G-protein function and for treatment of proliferative diseases.<br>References Billah., et al.: Lipids, 26, 1172 (1991), Piwinski., et al.: J. Med. Chem., 34, 457 (1991),<br></p>

<p>Stability Hygroscopic<br>Applications 2-Chloroethoxy Roxithromycin is an impurity of Roxithromycin (R700850); a semisynthetic Erythromycin (E649950) derivative and antibacterial.<br>References Jones, R.N., et al.: Antimicrob. Agents Chemother., 24, 209 (1983); Barry, A.L., et al.: Eur. J. Clin. Microbiol., 5, 536 (1986); Grassi, C., et al.: Chemioterapia, 6, 41 (1987); Gasc, J.C., et al.: J. Antibiot., 44, 313 (1991);<br></p>