C.i. acid red 114: Carcinogenic Potency Database

C.I. acid red 114 (CAS 6459-94-5)
SMILES, InChI and Structure are below.
Rats and Mice: Cancer Test Summary

Rat Target Sites		Mouse Target Sites		TD₅₀ (mg/kg/day)
Male	Female	Male	Female	Rat	Mouse
ezy liv ski	cli ezy lgi liv lun orc ski smi	no test	no test	3.89^m	no test

Key to the Table Above

Positivity: For each chemical with a positive (carcinogenic) experiment in the Carcinogenic Potency Database (CPDB), results are included on carcinogenic potency (TD₅₀) in each species and target sites in males and females. Positivity is determined by an author’s opinion in a published paper. If all experimental results in the CDPB are negative in a sex-species group, “no positive” appears. If the CPDB has no experiments in the sex-species group, “no test” appears. The summary presents the strongest evidence of carcinogenicity in each group. If there are both positive and negative experiments in a sex-species, the negative results are ignored in this Summary Table.

Target Site Codes: cli = clitoral gland. ezy = ear/Zymbal’s gland. lgi = large intestine. liv = liver. lun = lung. orc = oral cavity (includes tissues of the mouth, oropharynx, pharynx, and larynx). ski = skin. smi = small intestine. Target sites are listed if any author of published experimental results concluded that tumors were induced in that organ by the test agent. If there is more than one positive experiment in a sex-species, target sites listed may be from more than one experiment, e.g. if liver and lung are both listed, then liver may have been a target in one experiment and lung in another.

TD₅₀: Our standardized measure of carcinogenic potency, TD₅₀, is the daily dose rate in mg/kg body weight/day to induce tumors in half of test animals that would have remained tumor-free at zero dose. Whenever there is more than one positive experiment in a species, the reported TD₅₀ value is a Harmonic Mean calculated using the TD₅₀ value from the most potent target site in each positive experiment.

Superscripts: m = There is more than one positive experiment in the species, and TD₅₀ values from each positive experiment are used in the calculation of the reported Harmonic mean of TD₅₀.

The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of 6540 chronic, long-term animal cancer tests on 1547 chemicals. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature through 2001 and by the National Cancer Institute/National Toxicology Program through 2004. The CPDB standardizes the diverse literature of cancer bioassays that vary widely in protocol, histopathological examination and nomenclature, and in the published author’s choices of what information to provide in their papers. Results are reported in the CPDB for tests in rats, mice, hamsters, dogs, and nonhuman primates.

For each experiment, information is included on species, strain, and sex of test animal; features of experimental protocol such as route of administration, duration of dosing, dose level(s) in mg/kg body weight/day, and duration of experiment; experimental results are provided on target organ, tumor type, and tumor incidence; carcinogenic potency (TD₅₀) and its statistical significance; shape of the dose-response, author’s opinion as to carcinogenicity, and literature citation.

Only tests with dosing for at least ¼ the standard lifespan of the species and experiment length at least ½ the lifespan are included in the CPDB. Only routes of administration with whole body exposure are included. Doses are standardized, average dose rates in mg/kg/day. A description of methods used in the CPDB to standardize the diverse literature of animal cancer tests is presented for: 1) Criteria for inclusion of experiments 2) Standardization of average daily dose levels and 3) TD₅₀ estimation for a standard lifespan. See Methods for other details.

TD₅₀ provides a standardized quantitative measure that can be used for comparisons and analyses of many issues in carcinogenesis. The range of TD₅₀ values across chemicals that are rodent carcinogens is more than 100 million-fold. More than half the chemicals tested are positive in at least one experiment.

A plot of all results on each experiment in the CPDB for this chemical is presented below. These results are the source information for the Cancer Test Summary table above.

C.I. acid red 114: All Experiments and Citations in CPDB

The definition of each code in the plot below will appear in a pop-up window when the field name in the header line is clicked, e.g., Strain, Site, Path. Each numbered line starts a new experiment and reports protocol information in black. Average daily dose-rates per kg body weight per day are in green. Remaining lines report experimental results in blue.

Abbreviations of fields in header line: # = the line number in the plot of all CPDB chemicals; Xpo = duration of dosing; Xpt = duration of experiment; Site = tissue; Path = tumor type; DR = dose-response; AuOp = author’s opinion about carcinogenicity; LoConf, UpConf = confidence limits (99%) on TD₅₀; Inc = tumor incidence for each dose group.

See Guide to reading the plot for details on each field, using an example of one experiment.

See Help to improve readability, or to fit the plot onto the screen or a printed page.



Chemical (Synonym) CAS
# Species Sex Strain Route Xpo+Xpt PaperNum        0 Dose  1 Dose 2 Dose  3 Dose          Literature Reference or NCI/NTP:Site Path
Site Path Notes   TD50  DR Pval    AuOp LoConf UpConf   Cntrl   1 Inc  2 Inc   3 Inc                                                        Brkly Code



C.I. ACID RED 114   6459-94-5
5425 R f f34 wat 23m24 TR405 :                       0    8.42mg  16.8mg  34.3mg
 MXB MXB a      3.11mg Z P<.0005    2.14mg 4.68mg  12/50   22/35   54/65   39/50    cli:ade,anb,car,cnb; col:adp,muc; duo:adp,muc;
                                   jej:adp; liv:hpc,nnd; lun:a/a,a/c; phr:sqc,sqp; rec:adp; ski:bca,bcc; ton:sqc,sqp; zym:ade,car. C
 cli MXA a      4.75mg Z P<.0005 c  2.95mg 8.36mg  11/50   17/35   28/65   23/50                              cli:ade,anb,car,cnb.
 cli MXA a      8.97mg Z P<.0005    5.19mg 17.0mg   4/50    9/35   19/65   15/50                                      cli:car,cnb. S
 mul MXA a      9.44mg * P<.0005 e  5.10mg 24.3mg  12/50   13/35   18/65    5/50                                      mul:leu,mnl.
 pit pda a      11.1mg * P<.003     5.14mg 73.3mg  25/50   17/35   17/65    5/50                                                   S
 mgl fba a      11.4mg * P<.008     4.86mg 282.mg  19/50   13/35   12/65    1/50                                                   S
 cli MXA a      11.9mg Z P<.0005    6.08mg 30.5mg   7/50   10/35   10/65   10/50                                      cli:ade,anb. S
 liv MXA a      14.2mg Z P<.0005 c  8.08mg 26.0mg   0/50    0/35   19/65    8/50                                      liv:hpc,nnd.
 zym MXA a      15.6mg Z P<.0005 c  8.95mg 25.7mg   0/50    3/35   18/65   19/50                                      zym:ade,car.
 ute MXA a      16.4mg * P<.0005    7.79mg 63.7mg   5/50    9/35   10/65    2/50                                      ute:esp,ess. S
 zym car a      18.0mg * P<.0005    9.72mg 31.6mg   0/50    3/35   17/65   13/50                                                   S
 liv nnd a      18.0mg Z P<.0005    9.57mg 35.4mg   0/50    0/35   15/65    6/50                                                   S
 ute esp a      20.1mg * P<.002     9.03mg 98.6mg   4/50    8/35    8/65    2/50                                                   S
 ski MXA a      21.9mg * P<.0005 c  10.2mg 51.0mg   0/50    4/35    7/65    5/50                                      ski:bca,bcc.
 lun MXA a      23.6mg * P<.0005 c  11.2mg 62.9mg   1/50    2/35    9/65    4/50                                      lun:a/a,a/c.
 lun a/a a      26.3mg * P<.0005    12.1mg 75.0mg   1/50    2/35    8/65    4/50                                                   S
 ski bca a      28.2mg * P<.0005    11.6mg 82.7mg   0/50    3/35    5/65    3/50                                                   S
 thy MXA a      28.8mg * P<.0005    11.0mg 125.mg   0/50    3/35    3/65    1/50                                      thy:fca,fcc. S
 MXA MXA a      31.4mg * P<.0005 c  13.7mg 71.1mg   0/50    3/35    9/65    6/50                         phr:sqc,sqp; ton:sqc,sqp.
 amd MXA a      31.6mg * P<.003  e  12.3mg 220.mg   1/50    3/35    5/65    1/50                                      amd:phm,pob.
 MXA sqp a      36.5mg * P<.0005    14.6mg 102.mg   0/50    3/35    6/65    4/50                                 phr:sqp; ton:sqp. S
 amd pob a      38.3mg * P<.007     13.4mg 763.mg   1/50    3/35    4/65    1/50                                                   S
 mgl adc a      40.6mg * P<.0005 e  16.7mg 124.mg   0/50    3/35    6/65    3/50
 liv hpc a      42.5mg Z P<.0005    17.7mg 121.mg   0/50    0/35    6/65    3/50                                                   S
 ski MXA a      49.7mg * P<.002     16.5mg 264.mg   0/50    0/35    4/65    1/50                                      ski:sqc,sqp. S
 thy fca a      53.5mg * P<.007     16.2mg 878.mg   0/50    1/35    3/65    0/50                                                   S
 ski sqc a      57.3mg * P<.005     17.2mg 705.mg   0/50    0/35    3/65    0/50                                                   S
 zym ade a      65.4mg Z P<.0005    20.9mg 210.mg   0/50    0/35    2/65    6/50                                                   S
 ton MXA a      65.7mg * P<.002     21.3mg 300.mg   0/50    2/35    4/65    3/50                                      ton:sqc,sqp. S
 phr sqp a      72.4mg * P<.004     21.7mg 566.mg   0/50    1/35    4/65    1/50                                                   S
 ton sqp a      75.0mg * P<.003     22.0mg 509.mg   0/50    2/35    2/65    3/50                                                   S
 MXA MXA a      136.mg Z P<.007  c  31.5mg 3.20gm   0/50    1/35    0/65    3/50                             col:adp,muc; rec:adp.
 thy cca a      48.7mg Z P<.05      13.9mg n.s.s.   6/50    2/35    2/65    3/50                                                   S
 mgl ade a      67.0mg * P<.04      19.9mg n.s.s.   1/50    1/35    4/65    0/50                                                   S
 thy fcc a      68.9mg * P<.03      17.6mg n.s.s.   0/50    2/35    0/65    1/50                                                   S
 sub MXA a      78.2mg Z P<.05      20.9mg n.s.s.   3/50    0/35    3/65    2/50                                      sub:fbs,fib. S
 MXA MXA a      213.mg * P<.02   c  46.1mg n.s.s.   0/50    0/35    1/65    2/50                             duo:adp,muc; jej:adp.
 MXA sqc a      227.mg * P<.02      81.3mg n.s.s.   0/50    0/35    3/65    2/50                                 phr:sqc; ton:sqc. S
 TBA MXB a      2.31mg Z P<.0005    1.58mg 3.59mg  47/50   35/35   61/65   47/50
 liv MXB a      14.2mg Z P<.0005    8.08mg 26.0mg   0/50    0/35   19/65    8/50                                  liv:hpa,hpc,nnd.
5426 R m f34 wat 24m24 TR405 :                       0    3.45mg  7.39mg  14.8mg
 MXB MXB        2.80mg Z P<.0005    1.96mg 4.26mg   6/50    9/35   40/65   40/50     liv:hpc,nnd; ski:bca,bcc,ker,sbr,sea,sqc,sqp;
                                                                                                                      zym:ade,car. C
 ski MXA        3.30mg Z P<.0005 c  2.29mg 5.00mg   1/50    5/35   28/65   32/50                                      ski:bca,bcc.
 tes MXA        3.39mg Z P<.0005    1.97mg 8.88mg  44/50   35/35   59/65   43/50                                      tes:iab,ica. S
 ski bca        3.58mg Z P<.0005    2.45mg 5.50mg   1/50    4/35   26/65   30/50                                                   S
 amd MXA        5.94mg Z P<.0005 e  3.39mg 15.5mg  17/50   11/35   27/65   22/50                                  amd:pbb,phm,pob.
 amd pob        6.69mg Z P<.0005    3.71mg 19.5mg  16/50   11/35   24/65   20/50                                                   S
 liv MXA        7.02mg Z P<.0005 c  4.34mg 12.7mg   2/50    2/35   15/65   20/50                                      liv:hpc,nnd.
 liv nnd        10.4mg Z P<.0005    5.97mg 21.8mg   2/50    1/35   10/65   15/50                                                   S
 ski MXA        12.7mg * P<.0005 c  6.90mg 30.1mg   1/50    2/35   11/65    9/50                                      ski:sqc,sqp.
 ski sqc        16.2mg * P<.0005    8.33mg 37.2mg   0/50    2/35    8/65    7/50                                                   S
 liv hpc        20.2mg * P<.0005    9.95mg 48.9mg   0/50    1/35    6/65    7/50                                                   S
 ski ker        20.4mg Z P<.0005 c  9.42mg 73.0mg   1/50    1/35    4/65    7/50
 ski bcc        22.8mg * P<.0005    10.8mg 61.0mg   0/50    1/35    5/65    6/50                                                   S
 ski MXA        23.4mg * P<.002  c  10.5mg 100.mg   1/50    1/35    5/65    6/50                                      ski:sbr,sea.
 zym MXA        27.0mg * P<.0005 c  13.3mg 62.3mg   0/50    0/35    8/65    7/50                                      zym:ade,car.
 zym car        29.8mg * P<.0005    14.1mg 76.6mg   0/50    0/35    7/65    6/50                                                   S
 lun a/a        39.0mg Z P<.008     15.1mg 1.09gm   0/50    2/35    1/65    3/50                                                   S
 mul mnl        12.3mg * P<.05      4.95mg n.s.s.  20/50   20/35   37/65   12/50                                                   S
 lun MXA        47.2mg Z P<.1    e  14.5mg n.s.s.   2/50    2/35    2/65    3/50                                      lun:a/a,a/c.
 MXA sqp        71.0mg Z P<.02   e  20.0mg n.s.s.   0/50    0/35    1/65    2/50                                 phr:sqp; ton:sqp.
 TBA MXB        3.23mg Z P<.0005    1.95mg 7.30mg  43/50   33/35   62/65   48/50
 liv MXB        7.02mg Z P<.0005    4.34mg 12.7mg   2/50    2/35   15/65   20/50                                  liv:hpa,hpc,nnd.

Mutagenicity in Salmonella: positive
SMILES Code for C.I. acid red 114: C12(C(=CC(=CC=1S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC(=C2/N=N/C3=C(C=C(C=C3)C4=CC(=C(C=C4)/N=N/C5=CC=C(C=C5)OS(C6=CC=C(C=C6)C)(=O)=O)C)C)O).[Na+].[Na+]
InChI Code for C.I. acid red 114: InChI=1/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38-,41-40-;;
Source for SMILES and InChI: USEPA Distributed Structure-Searchable Toxicity (DSSTox) Database

Chemical Structure for C.I. acid red 114:

Source for structure: National Library of Medicine ChemIDPlus

See full CPDB Summary Table on 1547 chemicals. See Full CPDB for all results on 6540 experiments of 1547 chemicals.

A complete list of CPDB chemicals, which is searchable by name or by CAS number, is available here.

For a compendium of CPDB results organized by target organ, which lists all chemicals in each species that induced tumors in each of 35 organs, see Summary Table by Target Organ.

The CPDB is available in several formats that permit printing and downloading into spreadsheets and statistical databases.

A plot of the CPDB presents results of 1547 experiments on 6540 chemicals in an easily readable format that has been used in publications of the CPDB.
A Screen version plot for use on a single computer screen, with the same data.
Excel version of the same data.
Tab-separated versions of the same data, which can be easily read into databases.

A Supplementary Dataset gives details on dosing and survival for each experiment.

Relatively precise estimates of the lower confidence limit on the TD₁₀ (LTD₁₀) are readily calculated from the TD₅₀ and its lower confidence limit, which are reported in the CPDB. For researchers and regulatory agencies interested in LTD₁₀ values, we provide them in an Excel spreadsheet.

PDF versions of our publications of analyses using the CPDB are available, organized by year and by research topic.

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Last updated: October 3, 2007