2,4-diaminobenzenesulphonic acid

Endpoint summary

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

Qualifier:

according to guideline

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

Species:

rat

Strain:

Sprague-Dawley

Sex:

male/female

Details on test animals or test system 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:

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

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.

Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.