Table 1.
Test Chemical Information
| Chemical | CAS No. | Source | Test Groupa | Top Conc. (µM) | Other Genetoxb | Mammalian Cell Genetox Expectationc (-S9) | References and Miscellaneous Notes |
|---|---|---|---|---|---|---|---|
| 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide | 433337-23-6 | IoLiTec Ionic Liquids Technologies Inc. via NTP | A | 8.93 | No NTP data, no publications | Insufficient data | NA |
| 1-Methyl-3-tetradecylimidazolium bis(trifluoromethylsulfonyl)imide | 404001-49-6 | IoLiTec Ionic Liquids Technologies Inc. via NTP | A | 4 | No NTP data, no publications | Insufficient data | NA |
| 1, 1, 3-Trichloropropanone | 921-03-9 | TCI America via NTP | A | 6.31 | Ames pos. (± S9), in vitro CA pos. (± S9, stronger without S9), in vivo mouse MN neg., in vivo MN pos. (newt larvae), not tested by NTP | Positive | Leadscope (http://www.leadscope.com), Blazak et al. (1988), and Le Curieux et al. (1994) |
| 1, 2-Benzenediamine, N-phenyl-(a.k.a. N-Phenyl-o-phenylenediamine) | 534-85-0 | Sigma-Aldrich | A | 50.25 | No NTP data, no publications | Insufficient data | NA |
| 1, 2-Phenylenediamine HCl2 | 615-28-1 | Acros Organics via NTP | A | 102 | Ames pos., in vitro MLA, CA pos., in vivo MN pos. | Positive | EURL ECVAM Genotoxicity and Carcinogenicity Consolidated Database of Ames Positive Chemicals |
| 2-Methoxy-3, 4-dihydro-2H-pyran | 5/1/54 | Acros Organics | A | 25 | in vitro Hprt pos. (-S9) | Positive | BG RCI Toxicological Evaluations, no. 266 |
| 2, 2', 5, 5'-Tetrachlorobenzidine | 15721-02-5 | TCI America via NTP | A | 6.25 | Ames pos. (+S9), not tested by NTP | Insufficient data | IARC Monograph no. 27 (1982) |
| 2, 3-Dibromopropionic acid | 600-05-5 | Sigma-Aldrich via NTP | A | 203 | Ames pos., no NTP data | Insufficient data | Søderlund et al. (1979) |
| 2, 4-Bis(1-methyl-1-phenylethyl)phenol | 2772-45-4 | Sigma-Aldrich via NTP | A | 49.7 | No NTP data, no publications | Insufficient data | NA |
| 2, 4-Di-tert-butylphenol | 96-76-4 | Sigma-Aldrich via NTP | A | 99.5 | No NTP data, no publications | Insufficient data | NA |
| 2, 4-Diaminotoluene | 95-80-7 | Sigma-Aldrich via NTP | A | 196 | Ames pos. (+S9), in vitro CA and SCE pos., in vivo MN pos. | Positive | NTP (https://doi.org/10.22427/NTP-DATA-1); Leadscope |
| 2, 6-Toluenediamine | 823-40-5 | Sigma-Aldrich via NTP | A | 204 | in vitro CA pos., in vivo MN pos.; NTP tested the dihydrochloride salt: in vitro CA pos., in vivo MN pos. | Positive | Leadscope; NTP |
| 3-Butyl-1-nitro-3-nitrosoguanidine | 13010-08-7 | Sigma-Aldrich via NTP | A | 72.1 | Ames pos., not tested by NTP | Insufficient data | Leadscope |
| 3-Iodo-2-propynyl-N-butylcarbamate | 55406-53-6 | Sigma-Aldrich | A | 6.21 | No NTP data, no publications | Insufficient data | NA |
| 3-Methoxycatechol | 934-00-9 | Sigma-Aldrich via NTP | A | 74.8 | No NTP data; genotoxic upon nitrosation | Insufficient data | Ohshima et al. (1989) |
| 3-Phenylprop-2-enal (trans-Cinnamaldehyde) | 14371-10-9 | Sigma-Aldrich via NTP | A | 101 | Ames pos. (weak), in vitro SCE pos., in vitro CA pos. (although NTP study was neg.) | Positive | Leadscope; NTP |
| 4-(Benzyloxy)phenol | 103-16-2 | Sigma-Aldrich via NTP | A | 49.25 | No NTP data, no publications | Insufficient data | NA |
| 4-Methylcatechol | 452-86-8 | Sigma-Aldrich via NTP | A | 24.4 | Ames neg., in vitro CA pos., in vivo MN neg. | Positive | NTP; Leadscope; Stich et al. (1981) |
| 4, 4'-Diaminoazobenzene | 538-41-0 | Acros Organics via NTP | A | 102 | Ames pos. (+S9), no NTP data | Insufficient data | Shahin (1989) |
| 4, 4'-Thiodiphenol | 2664-63-3 | Sigma-Aldrich via NTP | A | 189 | No NTP data, no publications | Insufficient data | NA |
| 6-Azacytidine | 3131-60-0 | RTI International via NTP | A | 100 | in vitro MN pos. (K-) | Positive | Stopper et al. (1995); nucleoside analog |
| 6-Thioguanine | 154-42-7 | Sigma-Aldrich via NTP | A | 3.09 | Ames pos., in vitro CA pos., in vivo MN pos. | Positive | NTP; nucleoside analog |
| 8-Hydroxyquinoline | 148-24-3 | Sigma-Aldrich via NTP | A | 8.88 | Ames pos., in vitro CA and MLA pos. | Positive | NTP |
| Adriamycin HCl (a.k.a. Doxorubicin HCl) | 25316-40-9 | Toronto Research Chemicals Inc. via NTP | A | 0.2 | Ames pos., in vitro CA pos., in vivo MN pos. | Positive | Leadscope; NTP; topoisomerase 2 inhibitor |
| Ampicillin trihydrate | 7177-48-2 | Sigma-Aldrich | A | 1000 | Ames neg., in vitro CA neg. (pos. at conc. higher than therapeutic plasma conc., in vivo MN neg. | Negative | Kirkland et al. (2016) |
| Anisomycin | Sigma-Aldrich | A | 10 | in vitro MN neg. with high levels of apoptosis | Negative | Maik Schuler, Richard Spellman, Maria Engel (personal communication); protein biosynthesis inhibitor | |
| Apigenin | 520-36-5 | Sigma-Aldrich via NTP | A | 49.7 | Ames neg. | Insufficient data | NTP |
| AZD2858 | 486424-20-8 | Selleckchem | A | 49.98 | in vitro CA and MN pos. | Positive | Personal communication, Ann Doherty; Glycogen Synthase Kinase-3 inhibitor |
| Beta-Lapachone | 4707-32-8 | Selleckchem | A | 100 | in vitro CA and comet pos. | Positive | Degrassi et al. (1993), Vanni et al. (1998); Topoisomerase I inhibitor |
| Bis(1-piperidinylthioxomethyl)hexasulfide | 971-15-3 | Pfaltz & Bauer, Inc. via NTP | A | 12.75 | No NTP data, no publications | Insufficient data | NA |
| Bis[4-(glycidyloxy)phenyl]methane | 3/6/95 | Sigma-Aldrich via NTP | A | 50.25 | No NTP data, no publications | Insufficient data | NA |
| Bisphenol AF | 1478-61-1 | 3B Scientific Corporation via NTP | A | 70.7 | Ames neg., in vivo MN neg | Insufficient data | NTP |
| Cadmium acetate dihydrate | 4/4/43 | ICN Biomedicals, Inc. via NTP | A | 4.44 | other Cd salts: in vitro MN, CA, and Hprt pos., in vivo CA and MN pos. | Positive | Kirkland et al. (2016) |
| Cadmium Cl | 10108-64-2 | Sigma-Aldrich via NTP | A | 3.15 | in vitro MN, CA, and Hprt pos., in vivo CA and MN pos. | Positive | Kirkland et al. (2016) |
| Chlorocholine chloride | 999-81-5 | Sigma-Aldrich | A | 1000 | Ames neg., in vitro CA neg, in vivo CA neg. | Negative | Kirkland et al. (2016) |
| Copper dimethyldithiocarbamate | 137-29-1 | TCI America via NTP | A | 0.354 | No NTP data; other soluble Cu compounds: in vitro SCE and Hprt pos. | Positive | Sideris et al. (1988) |
| Dasatinib | 302962-49-8 | Selleckchem | A | 25 | Ames neg., clastogenic when tested in CHO cells (±S9), in vivo MN neg. | Positive | Sprycel package insert (2010); tyrosine kinase inhibitor, especially Ber-Abl, Scr, c-Kit |
| Digitonin | 11024-24-1 | Sigma-Aldrich via NTP | A | 6.34 | Ames neg. | Insufficient data | NTP |
| Dodecyl gallate (lauryl gallate) | 1166-52-5 | Sigma-Aldrich via NTP | A | 6.84 | in vitro comet pos. (although aspects of this study not performed to current standards), no NTP data | Insufficient data | Savia et al. (2005) |
| Ethanamine, 2-chloro-N, N-diethyl-, HCl | 869-24-9 | Sigma-Aldrich via NTP | A | 101 | No NTP data, no publications | Insufficient data | NA |
| Gefitinib | 184475-35-2 | Sigma-Aldrich | A | 25 | in vitro and in vivo genetic toxicity neg. | Negative | Iressa package insert (2003); EGFR tyrosine kinase inhibitor |
| Genistein | 446-72-0 | Sigma-Aldrich via NTP | A | 197 | Ames pos. (+S9), in vitro CA pos. | Positive | NTP; Leadscope; topoisomerase 2 inhibitor |
| Glutaraldehyde | 111-30-8 | Sigma-Aldrich via NTP | A | 18 | Ames pos., in vitro CA and MLA pos., in vivo MN neg. and equivocal | Positive | NTP |
| Hesperadin | 422513-13-1 | Selleckchem | A | 0.25 | in vitro MN pos., aberrant metaphases | Positive | Hauf et al. (2003) and Kurihara et al. (2006); Aurora B kinase inhibitor |
| Hydroquinone | 123-31-9 | Sigma-Aldrich via NTP | A | 49.75 | Ames pos. (although NTP study was neg.), in vitro CA pos. (although NTP study was only pos. +S9), in vitro MLA pos (± S9), in vivo MN pos. | Positive | Leadscope, NTP |
| Irinotecan | 57852-57-0 | Selleckchem | A | 5 | Ames neg., in vitro cytogenetics pos., in vivo MN pos. | Positive | Camptosar packet insert (2014); topoisomerase 1 inhibitor |
| Malachite green oxalate | 2437-29-8 | TCI America via NTP | A | 0.25 | Generally Ames neg. in absence of S9, in vitro CA neg., in vivo MN and Hprt neg. | Negative | NTP Toxicity Report Series No. 71 (2004), Au and Hsu (1979), and Mittelstaedt et al. (2004) |
| Menthol | 89-78-1 | Sigma-Aldrich | A | 499.8 | Ames neg., in vitro CA neg. and pos. reports, in vitro MN neg. in p53 competent human cells | Negative | Kirkland et al. (2016) |
| Mercuric chloride | 7487-94-7 | Sigma-Aldrich via NTP | A | 6.22 | Ames neg., in vitro CA pos., MLA pos. | Positive | NTP |
| Monocrotaline | 315-22-0 | Sigma-Aldrich via NTP | A | 201 | in vitro MN pos.; in vivo MN pos. | Positive | MacGregor et al. (1990) and Müller et al. (1992) |
| N-Phenyl-1, 4-benzenediamine HCl (a.k.a. p-anilinoaniline) | 2198-59-6 | Acros Organics via NTP | A | 49.5 | in vitro comet pos., no NTP data | Positive | Elliott and Reiners (2008) |
| Osimertinib | 1421373-65-0 | Selleckchem | A | 7.8 | in vitro and in vivo genetic toxicity neg. | Negative | Tagrisso, package insert (2012); EGFR kinase inhibitor |
| Oxiranemethanamine, N-[4-(oxiranylmethoxy)phenyl]-N-(oxiranylmethyl)- | 5026-74-4 | Sigma-Aldrich via NTP | A | 12.5 | No NTP data, no publications | Insufficient data | NA |
| Palbociclib | 827022-33-3 | Sigma-Aldrich | A | 12.49 | Ames neg., in vitro and in vivo MN pos., in vitro MN shown to arise from aneugenic MoA, in vitro ChromAb neg. | Positive | Ibrance package insert (2015), Wu et al. (2015, personal communication), Zhanna Sobol; cyclin-dependent kinase inhibitor |
| Pentabromoethane | 75-95-6 | Supelco via NTP | A | 142 | Ames neg., no publications | Insufficient data | NTP |
| Pyrimethamine | 58-14-0 | Sigma-Aldrich via NTP | A | 6.34 | Ames neg., in vitro SCE and CA pos. | Positive | NTP |
| Resveratrol | 501-36-0 | ChromaDex, Inc. via NTP | A | 202 | in vitro clastogenesis | Positive | Basso et al. (2013), Fox et al. (2012), and Leone et al. (2012); topoisomerase 2 inhibitor |
| sec-Butylparaben | 17696-61-6 | TCI America via NTP | A | 201 | No NTP data, no publications | Insufficient data | NA |
| Selenious acid | 7783-00-8 | Sigma-Aldrich via NTP | A | 100 | in vitro comet pos., in vitro CA pos. | Positive | Cemeli et al. (2003) and Nakamuro et al. (1976) |
| Selenium dioxide | 8/4/46 | Sigma-Aldrich via NTP | A | 102 | in vitro SCE pos. (human lymphocytes) | Positive | Ray and Altenberg (1980) |
| Sesamol | 533-31-3 | Sigma-Aldrich via NTP | A | 199 | Ames neg., pro-oxidant at high conc. | Insufficient data | NTP; Khamphio et al. (2016) |
| Strobane | 8001-50-1 | Chem Service, Inc. via NTP | A | 49.2 | No NTP data, no publications | Insufficient data | NA |
| Tannic acid | 1401-55-4 | Santa Cruz Biotechnology, Inc. via NTP | A | 72.3 | in vitro CA and MN pos. | Positive | EFSA Journal (2014) |
| Tetraphenylolethane glycidyl ether | 7328-97-4 | Sigma-Aldrich via NTP | A | 31.25 | in vitro MN pos. | Positive | Nishihara et al. (2016) |
| Topiramate | 97240-79-4 | Sigma-Aldrich | A | 1000 | Ames neg., in vitro CA and MLA neg., in vivo CA neg. | Negative | Kirkland et al. (2016) |
| Tozasertib (a.k.a. VX-680) | 639089-54-6 | Selleckchem | A | 1 | in vitro MN pos. (primarily K+, also polyploidy) | Positive | Gollapudi et al. (2014); pan-Aurora kinase inhibitor, especially Aurora A |
| Tribromoacetaldehyde | 115-17-3 | Sigma-Aldrich via NTP | A | 2.64 | in vitro comet pos., in vitro MN neg. | Positive (owing to clear TK6 comet positive results with high levels of oxidized bases) | Jeong et al. (2015) and Liviac et al. (2010) |
| Tributyltetradecylphosphonium Cl | 81741-28-8 | Cytec Industries Inc. via NTP | A | 1 | No NTP data, no publications | Insufficient data | NA |
| Tributyltetradecylphosphonium dodecylbenzenesulfonate | NOCAS_49391 | IoLiTec Ionic Liquids Technologies Inc. via NTP | A | 1 | No NTP data, no publications | Insufficient data | NA |
| Tris (2-ethylhexyl) phosphate | 78-42-2 | Sigma-Aldrich | A | 1000 | Ames neg., in vitro CA neg., in vivo CA and MN neg. | Negative | Kirkland et al. (2016) |
| Zafirlukast | 107753-78-6 | Sigma-Aldrich | A | 124.9 | Ames neg., in vitro MLA, CA and Hprt neg. | Negative | Kirkland et al. (2016) |
| Zinc dibutyldithiocarbamate | 136-23-2 | TCI America via NTP | A | 8.83 | Ames neg., in vitro CA pos., in vitro MLA neg. | Positive | Matsuoka et al. (2005) and Tinklera et al. (1998) |
| Ziram | 137-30-4 | Sigma-Aldrich via NTP | A | 0.177 | Ames pos., in vitro CA pos. | Positive | NTP |
| ZM-447439 | 331771-20-1 | Selleckchem | A | 25 | in vitro MN pos. (primarily K+, also polyploidy) | Positive | Gollapudi et al. (2014); Aurora kinase A/B inhibitor |
| 1-Amino-2-methylanthraquinone | 82-28-0 | Sigma-Aldrich via NTP | S | 99 | Ames pos. (+S9); in vitro CA pos. (+S9, CHO cells), in vitro SCE pos. (± S9, CHO) | Insufficient data | NTP |
| 2-Amino-5-azotoluene | 97-56-3 | Sigma-Aldrich via NTP | S | 70.7 | Ames pos. (+S9) | Insufficient data | NTP |
| 2-Hydroxyanthraquinone | 605-32-3 | TCI America via NTP | S | 70.7 | Ames pos. (+S9, weak) | Insufficient data | REACH Monitor (2012) |
| 3'-Methyl-4-dimethylaminoazobenzene | 55-80-1 | TCI America via NTP | S | 21.7 | Ames pos. (-S9, weak) | Insufficient data | Lefevre and Ashby (1981) |
| 4-(Dimethylamino)azobenzene | 60-11-7 | Sigma-Aldrich via NTP | S | 70.7 | Ames pos. (+S9), in vitro MLA pos. (+S9), in vivo MN pos. | Negative | NTP; Leadscope |
| 4-Azoxyanisole | 1562-94-3 | Sigma-Aldrich via NTP | S | 17.49 | Ames pos. (+S9) | Insufficient data | NTP |
| Biochanin A | 491-80-5 | Sigma-Aldrich via NTP | S | 201 | DNA adducts and aneuploidy in SHE cells without S9 | Positive | Tsutsui et al. (2003) |
| Cyproterone acetate | 427-51-0 | Sigma-Aldrich via NTP | S | 122.8 | in vitro CA with metabolically competent cells, in vivo MN pos. | Insufficient data | Leadscope; Kasper et al. (2001) |
| D&C Yellow 11 | 8003-22-3 | Sigma-Aldrich via NTP | S | 35.7 | Ames, in vitro CA pos. | Positive | NTP |
| N-Phenyl-1-naphthylamine | 90-30-2 | Sigma-Aldrich via NTP | S | 101 | Ames, in vitro CA neg. | Negative | NTP |
| N, N'-Diphenyl-p-phenylenediamine | 74-31-7 | Sigma-Aldrich via NTP | S | 35.3 | Ames pos. (+S9), in vitro SCE pos. (±S9), in vitro CA pos. (although NTP study was neg.) | Positive | NTP; Leadscope |
| Phenethyl anthranilate | 133-18-6 | Sigma-Aldrich via NTP | S | 201 | Ames neg. | Insufficient data | NTP |
| Rosuvastatin calcium | 147098-20-2 | Sigma-Aldrich via NTP | S | 707 | Ames neg., in vitro MLA and CA neg. | Negative | Kirkland et al. (2016) |
| Saquinavir mesylate | 149845-06-7 | Roche Research Center via NTP | S | 52.7 | Ames, in vitro CA, in vivo MN neg. | Negative | Invirase package insert (2012); HIV protease inhibitor |
| 1, 3-Dichlorobenzene | 541-73-1 | Sigma-Aldrich via NTP | I | 199 | Escherichia coli and in vivo MN pos., NTP Ames neg. | Positive | EPA, toxicological review of dichlorobenzenes (2006); NTP |
| 2-Amino-6-methoxybenzothiazole | 1747-60-0 | Sigma-Aldrich via NTP | I | 71 | Ames pos. (+S9), in vitro CA pos. (much stronger with S9), in vitro MLA pos. (+S9), in vivo MN pos. in female mice, in vivo MN neg. in male mice | Negative | NTP |
| 2-Butoxyethanol | 111-76-2 | Sigma-Aldrich via NTP | I | 200 | Ames neg., in vitro SCE and CA neg.; in vivo MN neg. | Negative | NTP |
| 2-Methoxy-5-methylaniline (a.k.a. p-Cresidine) | 120-71-8 | Sigma-Aldrich via NTP | I | 194 | Ames pos. (+S9), in vitro CA pos. (+S9, weak), in vivo MN pos.; NTP study was neg. | Negative | Leadscope; NTP |
| 9, 10-Dihydrobenzo[a]pyrene-7(8H)-one | 3331-46-2 | Sigma-Aldrich via NTP | I | 191 | No NTP data, no publications | Insufficient data | NA |
| Acetic acid, mercapto-, monoammonium salt | 5421-46-5 | TCI America via NTP | I | 201 | No NTP data, no publications | Insufficient data | NA |
| Black cohosh extract | 84776-26-1 | Frutarom Switzerland Ltd. via NTP | I | 25 | in vitro MN pos., in vivo MN pos. | Positive | NTP; Mercado-Feliciano et al. (2012) |
| C.I. Basic Orange 2 | 532-82-1 | Sigma-Aldrich via NTP | I | 197 | Ames pos. (+S9) | Insufficient data | NTP |
| Daidzein | 486-66-8 | Sigma-Aldrich via NTP | I | 198 | Ames neg., in vitro CA neg. | Negative | NTP; Leadscope |
| Dimethylsulfoxide | 67-68-5 | Gaylord Chemical Company, LLC via NTP | I | 1% v/v | Ames neg., in vitro CA neg. | Negative | Common solvent, not expected to cause in vitro genotoxicity at conc. tested |
| Metronidazole | 443-48-1 | Sigma-Aldrich via NTP | I | 205 | Ames pos. (± S9), in vitro CA pos., in vivo MN pos. | Positive | NTP; Leadscope |
| Resorcinol | 108-46-3 | Sigma-Aldrich via NTP | I | 195 | Some pos. findings such as in vitro CA pos. (CHO), but generally neg. in p53-competent cel lines | Negative (in p53 competent cells) | Kirkland et al. (2016) and Stich et al. (1981) |
| Sorbic acid | 110-44-1 | Sigma-Aldrich via NTP | I | 199 | Ames neg.; in vitro CA, in vivo MN pos. | Positive | Leadscope; NTP |
| Thiocarbazide | 2231-57-4 | Alfa Aesar via NTP | I | 205 | Ames neg. | Insufficient data | Leadscope |
| Vinpocetine | 42971-09-5 | Maypro Industries, LLC via NTP | I | 100 | Ames neg., in vivo MN neg., in vivo comet stomach neg., blood neg., liver equivocal | Insufficient data | NTP |
a
Test Group A: adequately tested, either positive by at least 1 analysis method, or if negative tested to limit conc. or approached/achieved cytotoxicity limit, n = 74; Group S: top concentration limited by solubility (in DMSO), n = 14. Group I: inadequately tested, negative result and did not approach or achieve cytotoxicity limit, and did not reach limit conc. or solubility limit, n = 15.
b
Unless otherwise stated Ames and in vitro mammalian cell results refer to test conditions in the absence of exogenous metabolic activation.
c
Insufficient means an expected in vitro mammalian cell genotoxicity call cannot be made at this time for lack of sufficient conventional genotoxicity data.