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Administrative data

Description of key information

The test chemical 2,4-Diaminobenzenesulfonic acid is not likely to classify as a toxicant upon repeated application by the oral route of exposure.

Key value for chemical safety assessment

Repeated dose toxicity: via oral route - systemic effects

Link to relevant study records
Reference
Endpoint:
short-term repeated dose toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from predicted database
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Reference:
Composition 0
Qualifier:
according to
Guideline:
other:
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
GLP compliance:
not specified
Limit test:
no
Test material information:
Composition 1
Species:
rat
Strain:
Sprague-Dawley
Sex:
male/female
Details on test animals and environmental conditions:
No data
Route of administration:
oral: gavage
Vehicle:
not specified
Details on oral exposure:
No data
Analytical verification of doses or concentrations:
not specified
Details on analytical verification of doses or concentrations:
No data
Duration of treatment / exposure:
No data
Frequency of treatment:
No data
Remarks:
Doses / Concentrations:No dataBasis:
No. of animals per sex per dose:
No data
Details on study design:
No data
Positive control:
No data
Observations and examinations performed and frequency:
No data
Sacrifice and pathology:
No data
Other examinations:
No data
Statistics:
No data
Clinical signs:
not specified
Mortality:
not specified
Body weight and weight changes:
not specified
Food consumption and compound intake (if feeding study):
not specified
Food efficiency:
not specified
Water consumption and compound intake (if drinking water study):
not specified
Ophthalmological findings:
not specified
Haematological findings:
not specified
Clinical biochemistry findings:
not specified
Urinalysis findings:
not specified
Behaviour (functional findings):
not specified
Organ weight findings including organ / body weight ratios:
not specified
Gross pathological findings:
not specified
Histopathological findings: non-neoplastic:
not specified
Histopathological findings: neoplastic:
not specified
Details on results:
No data
Dose descriptor:
NOAEL
Effect level:
375.038 mg/kg bw/day (actual dose received)
Based on:
test mat.
Sex:
not specified
Remarks on result:
other: not specified
Critical effects observed:
not specified
System:
other: not specified
Treatment related:
not specified
Dose response relationship:
not specified
Relevant for humans:
not specified

The prediction was based on dataset comprised from the following descriptors: NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((((("a" or "b" or "c" or "d" or "e" or "f" )  and ("g" and ( not "h") )  )  and "i" )  and "j" )  and ("k" and ( not "l") )  )  and ("m" and "n" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aminoaniline, meta AND Aniline AND Aryl AND Sulfonic acid by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aminoaniline, meta AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Primary amine AND Primary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Primary amine AND Primary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as AN2 AND AN2 >> Michael-type addition to quinoid structures  AND AN2 >> Michael-type addition to quinoid structures  >> Substituted Anilines by Protein binding by OASIS v1.4

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Acylation involving an activated (glucuronidated) carboxamide group OR Acylation >> Acylation involving an activated (glucuronidated) carboxamide group >> Carboxylic Acid Amides OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Carboxylic Acid Amides OR AN2 >> Michael-type addition to quinoid structures  >> Carboxylic Acid Amides OR Michael addition OR Michael addition >> Michael addition on polarised Alkenes OR Michael addition >> Michael addition on polarised Alkenes >> Polarised Alkenes - sulfones  OR No alert found OR Nucleophilic addition OR Nucleophilic addition >> Addition to carbon-hetero double bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds >> Ketones OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated aryl and heteroaryl compounds OR SNAr >> Nucleophilic aromatic substitution on activated aryl and heteroaryl compounds >> Activated aryl and heteroaryl compounds by Protein binding by OASIS v1.4

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (extension) ONLY

Domain logical expression index: "j"

Similarity boundary:Target: Nc1ccc(S(O)(=O)=O)c(N)c1
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for Chromosomal aberration by OASIS v.1.2

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Michael addition to the quinoid type structures OR AN2 >> Michael addition to the quinoid type structures >> Substituted Anilines by Protein binding alerts for Chromosomal aberration by OASIS v.1.2

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.13

Domain logical expression index: "n"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.18

Conclusions:
The test compound 2,4-Diaminobenzenesulfonic acid has a No Observed Adverse Effect Level (NOAEL) of 375.037994385 mg/Kg bw/day.
Executive summary:
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Repeated dose oral toxicity was predicted for the test compound using SSS QSAR prediction database (2016). Subacute study was assumed to be performed on male and female Sprague Dawley rats. The test compound 2,4-Diaminobenzenesulfonic acid has a No Observed Adverse Effect Level (NOAEL) of 375.037994385 mg/Kg bw/day.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
NOAEL
357.03 mg/kg bw/day
Study duration:
subacute
Species:
rat
Quality of whole database:
Data is from K2 prediction database

Repeated dose toxicity: inhalation - systemic effects

Endpoint conclusion
Endpoint conclusion:
no study available

Repeated dose toxicity: inhalation - local effects

Endpoint conclusion
Endpoint conclusion:
no study available

Repeated dose toxicity: dermal - systemic effects

Endpoint conclusion
Endpoint conclusion:
no study available

Repeated dose toxicity: dermal - local effects

Endpoint conclusion
Endpoint conclusion:
no study available

Mode of Action Analysis / Human Relevance Framework

Additional information

Repeated dose toxicity: Oral

Prediction model based estimation for the target chemical and data from read across chenmical have been summarized below to determine the toxic nature of the test compound 2,4-Diaminobenzenesulfonic acid upon repeated application by the oral route of administration.

Repeated dose oral toxicity was predicted for the test compound using SSS QSAR prediction database (2016). Subacute study was assumed to be performed on male and female Sprague Dawley rats. The test compound 2,4-Diaminobenzenesulfonic acid has a No Observed Adverse Effect Level (NOAEL) of 375.037994385 mg/Kg bw/day.

In 28 days repeated dose toxicity study for 2-amino-5-methyl benzene sulfonic acidwas determined in in male and female Crj: CD (SD) rats when they were exposed in a concentration of0, 100,300 and 1000mg/ kg /day for 28 days by oral gavage . There was recovery period of 14 days in control and 1000 mg/kg/day group. No significant change were observed in mortality, clinical sign, body weight food consumption at dose level of100 ,300 and 1000 mg/kg/bw/day in treated group compare to control. Significant change were observed in thehaematology , clinical chemistry and urine analysis , organ weight and gross pathology and histopathology at dose level of 1000 mg/kg/day of treated group. These changes were not recovered during recovery period. No significant changes were observed at the dose level of 300 mg/kg/day. Therefore the No Observed Adverse Effect Level (NOAEL) was considered to be 300 mg/kg/day for 2-amino-5-methyl benzene sulfonic acid in male and female Crj: CD (SD) rats during 28 days repeated dose toxicity study.

Based on the weight of evidence data summarized, the test chemical is not likely to classify as a toxicant upon repeated application by the oral route of exposure.

Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:

Data is from prediction database

Justification for classification or non-classification

Based on the weight of evidence data summarized, the test chemical 2,4-Diaminobenzenesulfonic acid is not likely to classify as a toxicant upon repeated application by the oral route of exposure.