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Table 1 Chemical ID, test chemical, CAS No. source or supplier of test chemical, purity, and test site

From: Bacterial mutagenicity test data: collection by the task force of the Japan pharmaceutical manufacturers association

Chemical ID Test chemical CAS No. Source or supplier of test chemical Purity (%) Test site
1 1-Iodo-4-nitrobenzene 636–98-6 Maruzen Chemicals 99.9 CERI
2 2-Nitro-5-(1-piperazinyl)benzaldehyde HCl 13236300a Otsuka Pharmaceutical 100 JISHA
3 Methyl 2-methyl-3-nitrobenzoate 59382–59-1 Otsuka Pharmaceutical 99.57 JISHA
4 2-Nitro-5-(1-piperazinyl)benzaldehyde dimethyl acetal 101291629a Otsuka Pharmaceutical 99.8 JISHA
5 5-Chloro-2-nitrobenzaldehyde dimethyl acetal 13796–06-0 Otsuka Pharmaceutical 99.97 JISHA
6 2-Nitro-5-(1-piperazinyl)cinnamic acid NR Otsuka Pharmaceutical 99.8 JISHA
7 2-Fluoro-4-nitrophenol 403–19-0 Tokyo Chemical Industry 99.6 BoZo Research Center
8 3-Hydroxy-4-nitrobenzoic acid 619–14-7 Eisai 99.6 UBE
9 Pranidipine; Methyl (2E)-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate 99522–79-9 Otsuka Pharmaceutical 99.97 Otsuka Pharmaceutical
10 4-Amino-2-fluorophenol 399–96-2 Tokyo Chemical Industry 99.4 BoZo Research Center
11 Methyl 3-amino-2-methyl benzoate 18583–89-6 Otsuka Pharmaceutical 94.43 JISHA
12 Sodium 3-[2-amino-5-(1-piperazinyl)phenyl]propionate 101328646a Otsuka Pharmaceutical 99.5 JISHA
13 Methyl 4-amino-2-methoxybenzoate 27492–84-8 Tokyo Chemical Industry 98.9 BoZo Research Center
14 Methyl 3-amino-4,6-dibromo-2-methylbenzoate 119916–05-1 Otsuka Pharmaceutical 98.74 JISHA
15 4-(2-Methoxy-phenyl)-thiazol-2-ylamine 93209–95-1 Shionogi 99.99 CMIC Pharma Science
16 4-Hexyl-1,3-thiazol-2-amine 90770–58-4 Shionogi 99.72 CMIC Pharma Science
17 2-Amino-4-hydroxythiazole 7146–26-1 Oakwood Products 98 LSI Medience
18 Thiazole-2,4-diamine 67355–26-4 Oxchem 98 LSI Medience
19 6-(2,3-Epoxypropoxy)-2(1H)-quinolinone 143343–78-6 Otsuka Pharmaceutical 94.44 JISHA
20 6-(4-(3,4-Dimethoxybenzoyl)-2,3-dihydroxypiperazin-1-yl)-3,4-dihydriquinolin-2(1H)-one NR Otsuka Pharmaceutical 98.12 Otsuka Pharmaceutical
21 8-Hydroxy-2(1H)-quinolinone 15450–76-7 Otsuka Pharmaceutical 99.55 JISHA
22 3,4-Dimethoxy-N-{2-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)amino]ethyl}benzamide NR Otsuka Pharmaceutical 99.96 Otsuka Pharmaceutical
23 6-(3-Oxopiperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one NR Otsuka Pharmaceutical 99.56 Otsuka Pharmaceutical
24 3,4-Dihydro-5-(1-piperazinyl)-2-(1H) quinolinone 87154–95-8 Otsuka Pharmaceutical > 99.9 JISHA
25 6-(4-(4-Hydroxy-3-methoxybenxoyl)piperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one NR Otsuka Pharmaceutical 99.87 Otsuka Pharmaceutical
26 6-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-2(1H)-quinolinone 73963–62-9 Otsuka Pharmaceutical 100 Otsuka Pharmaceutical
27 trans-3,4-Dihydro-6-[4-[1-(4-hydroxycyclohexyl)-1H-tetrazol-5-yl]butoxy]-2(1H)-quinolinone 87153–04-6 Otsuka Pharmaceutical 99.93 Otsuka Pharmaceutical
28 Grepafloxacin; (RS)-1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid 119914–60-2 Otsuka Pharmaceutical 99.66 JISHA
29 Grepafloxacin HCl; (RS)-1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid monohydrochloride 161967–81–3 Otsuka Pharmaceutical 99.59 Otsuka Pharmaceutical
30 Ethyl 1-cyclopropyl-7-brorno-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylate 119916–33-5 Otsuka Pharmaceutical 99.88 JISHA
31 2,4-Bis(trimethylsiloxy)-5-fluoropyrimidine 17242–85-2 Otsuka Pharmaceutical 99.3 JISHA
32 1,3-Dimethyl-2,4-pyrimidinedione 874–14-6 Otsuka Pharmaceutical 99.6 JISHA
33 1-(Ethoxymethyl)-5-fluoro-pyrimidine-2,4-dione 57610–22-7 Otsuka Pharmaceutical 99.7 JISHA
34 3-(1-Ethoxymethyl-5-fluoro-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-3-yl)carbonylbenzoic acid 129971–17-1 Otsuka Pharmaceutical 99 JISHA
35 3-(3-Benzyloxycarbonylbenzoyl)-1-ethoxymethyl-5-fluoro-2,4-pyrimidinedione NR Otsuka Pharmaceutical 99.8 JISHA
36 1-Hydroxybenzotriazole hydrate 123333–53-9 Otsuka Chemical 99 BML
37 3H-[1,2,3]Triazolo[4,5-b]pyridin-3-ol 39968–33-7 Tokyo Chemical Industry 99 BML
38 1-[Bis (dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate 148893–10-1 Sigma-Aldrich 99 BML
39 Methylcarbamoyl-phenyloxadiazole 1374817–07-8 Shionogi 98.77 CERI
40 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride n-hydrate 3945-69-5 Tokuyama 84.8 BML
41 N-Phenylbis(trifluoromethanesulfonimide) 37595–74-7 Tokyo Chemical Industry 99.9 SNBL
42 1,1,1-Trifluoro-N-phenylmethanesulfonamide 456–64-4 Tokyo Chemical Industry 99.9 SNBL
43 Perfluoro-1-butanesulfonyl fluoride 375–72-4 Funakoshi > 90 BML
44 Diisopropyl sulfate 2973-10-6 Tokyo Chemical Industry 97 BML
45 Methyl p-toluenesulfonate 80–48-8 Kanto Chemical 98 BML
46 Ethyl trifluoromethanesulfonate 425–75-2 Tokyo Chemical Industry 99.8 SNBL
47 2-Nitrobenzenesulfonyl chloride 1694-92-4 Mitsubishi Tanabe Pharma 100.1 Koei Techno
48 p-Toluenesulfonyl chloride 98–59-9 Tokyo Chemical Industry 99 BML
49 4,6-Dibromo-3-fluoro-2-methylbenzoyl chloride 11916–28-8 Otsuka Pharmaceutical 99.18 JISHA
50 Benzyl 3-chloroformylbenzoate 67852–96-4 Otsuka Pharmaceutical 99.3 JISHA
51 3-(1-Ethoxymethyl-5-fluoro-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-3-yl)carbonylbenzoyl chloride 1380098–51-0 Otsuka Pharmaceutical 91.1 JISHA
52 6-(3-Chloro-2-hydroxypropoxy)-2(1H)-quinolinone 128669–85-8 Otsuka Pharmaceutical 95.18 JISHA
53 Chloroacetonitrile 107–14-2 Tokyo Chemical Industry 99.9 LSI Medience
54 1-Bromohexane 111–25-1 Tokyo Chemical Industry 99.8 BSRC
55 2-Chloro-N-methoxy-N-methylacetamide 67442–07-3 Tokyo Chemical Industry 99.9 CMIC Pharma Science
56 Ethyl 5-chloro-2-[2-(trifluoromethyl)phenyl]pentanimidate HCl 1123197–78-3 Eisai 97.8 UBE
57 Liothyronine sodium 55–06-1 Acros Organics 95 Taisho
58 (4-Bromo-3,5-dimethoxyphenyl)methanol 61367–62-2 Eisai 100 UBE
59 Ethyl (4,6-dibromo-3-fluoro-2-methylbenzoyl)acetate 119916–30-2 Otsuka Pharmaceutical 98.88 JISHA
60 Catena-m-[2-ethoxycarbonyl-3-(4,6-dibromo-3-fluoro-2-methylphenyl)-3-oxidoacrylato(2-)-O,O′,O″,O″′]magnesium (II) NR Otsuka Pharmaceutical 87.2 JISHA
61 Methyl 4,6-dibromo-3-fluoro-2-methylbenzoate 119916–08-4 Otsuka Pharmaceutical 99.72 JISHA
62 4,6-Dibromo-3-fluoro-2-methylbenzoic acid 11916–27-7 Otsuka Pharmaceutical 98.79 JISHA
63 Sodium 4,6-dibromo-3-fluoro-2-methylbenzoate NR Otsuka Pharmaceutical 91.79 JISHA
64 Ethyl 2-(4,6-dibromo-3-fluoro-2-methyl benzoyl)-3-cyclopropylaminopropenoate NR Otsuka Pharmaceutical 99.95 JISHA
65 Ethyl 2-(4,6-dibromo-3-fluoro-2-methylbenzoyl)-3-ethoxypropenoate NR Otsuka Pharmaceutical 100 JISHA
66 Cinnamyl 3-aminocrotonate 113898–97-8 Otsuka Pharmaceutical 98.4 JISHA
67 Cinnamyl acetoacetate 57582–46-4 Otsuka Pharmaceutical 99.4 JISHA
68 Benzyl hydrogen isophthalate 113266–88-9 Otsuka Pharmaceutical 100 JISHA
69 Sodium benzyl isophthalate NR Otsuka Pharmaceutical 95.1 JISHA
70 Dibenzyl isophthalate 16034–14-3 Otsuka Pharmaceutical 99 JISHA
71 Diethyl phosphoryl chloride 814–49-3 Tokyo Chemical Industry 99 BML
72 Bis(diphenylphosphino)ferrocene 12150–46-8 Hokko Chemical 99.4 BML
73 Phosphorus (III) bromide 7789–60-8 Tokyo Chemical Industry 98 BML
74 Triethyl phosphonoacetate 867–13-0 Tokyo Chemical Industry 98.4 BML
75 Dicyclohexyl(2′,6′-dimethoxybiphenyl-2-yl)phosphine 657408–07-6 Johnson Matthey 100 BML
76 2-Dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl (XPhos) 564483–18-7 Mitsubishi Tanabe Pharma 99.87 Koei Techno
77 Zinc cyanide 557–21-1 Alfa Aesar 98.9 BSRC
78 3-Cyano-2,6-dihydroxypyidine monosodium salt 91467–46-8 Otsuka Pharmaceutical 98.3 JISHA
79 3-Cyano-2,6-dihydroxypyridine 35441–10-2 Otsuka Pharmaceutical 99.8 JISHA
80 6-Benzoyloxy-3-cyano-2-hydroxypyridine 103941–70-4 Otsuka Pharmaceutical 100 JISHA
81 Ethyl oxoacetate 924–44-7 Weylchem 99.7 FDSC
82 2-Fluoro-3-hydroxy-5-methoxybenzaldehyde 883576–31-6 Eisai 99.3 UBE
83 4-Bromobenzaldehyde 1122-91-4 Tokyo Chemical Industry 99.9 FDSC
84 4-Pentyn-1-ol 5390-04-5 Avra Synthesis 97.85 LSI Medience
85 (tert-Butoxycarbonyl)hydrazide 870–46-2 Shanghai Unibest Biopharma 84.8 BML
86 4,6-Dibromo-3-methoxycarbonyl-2-methylbenzenediazonium tetrafluoroborate NR Otsuka Pharmaceutical 93.2 JISHA
87 9-Fluorenylmethyl alcohol 24324–17-2 Tokyo Chemical Industry 99.9 BSRC
88 N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide HCl 25952–53-8 Toyobo 99 BML
89 Benzamidoxime 613–92-3 Shionogi >  98 Koei Techno
90 Carbethoxymethyl-dimethylsulfonium bromide 5187-82-6 Apollo Scientific 96.5b FDSC
91 3,4-Dihydro-2H-pyran 110–87-2 Tokyo Chemical Industry 99 BML
92 (2S)-2-[(tert-Butoxycarbonyl)amino]hexanedioic acid dimethyl ester 615258–01-0 Eisai 96.9 UBE
93 tert-Butyl 2-acryloylhydrazine-1-carboxylate 28689–14-7 Eisai 99.9 UBE
94 [4-(Hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid 332394–37-3 Eisai 99.9 UBE
95 Triethylsilane 617–86-7 Tokyo Chemical Industry > 98 BML
96 1,3-Butanediol 107–88-0 Daicel 99.8 Nihon Bioresearch
97 Ammonium acetate 631–61-8 Wako Pure Chemical Industries 100 CERI
98 p-Toluenesulfinic acid sodium salt 7257-26-3 Tokyo Chemical Industry 99.7 BML
99 2,2,6,6-Tetramethylpiperidine 1-oxyl (free radical) 2564-83-2 Tokyo Chemical Industry 99.7 SNBL
  1. BSRC Biosafety Research Center, Foods, Drug and Pesticides, CERI Chemicals Evaluation and Research Institute, FDSC Hatano Research Institute, Food and Drug Safety Center, JISHA Japan Industrial Safety and Health Association, SNBL Shin Nippon Biomedical Laboratories, UBE UBE Scientific Analysis Laboratory, NR not registered
  2. aPubChem Compound ID
  3. bpurified after purchase
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