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Description of key information

The skin sensitization potential of 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be sensitizing to the skin of guinea pigs. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) induced skin sanitization effects and hence is considered to be sensitizing to guinea pigs and can be classified under the category ˋ Skin Sensitizer ’ as per CLP regulation.

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation
Remarks:
in vivo
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
GLP compliance:
not specified
Type of study:
not specified
Justification for non-LLNA method:
not specified
Specific details on test material used for the study:
- Name of test material: 4-(Diethylamino)azobenzene
- Molecular formula: C16H19N3
- Molecular weight: 253.347 g/mol
- Smiles notation: c1(N(CC)CC)ccc(\N=N\c2ccccc2)cc1
- InChl: 1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
- Substance type: Organic
- Physical state: Solid
Species:
guinea pig
Strain:
not specified
Sex:
not specified
Details on test animals and environmental conditions:
not specified
Route:
other: No data available
Route:
other: No data available
No. of animals per dose:
No data available
Details on study design:
No data available
Challenge controls:
No data available
Reading:
1st reading
Group:
test chemical
Clinical observations:
Skin sensitizing effects were observed.
Remarks on result:
positive indication of skin sensitisation
Cellular proliferation data / Observations:
Skin sensitizing effects were observed.

The prediction was based on dataset comprised from the following descriptors: "S M W N"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" )  and ("c" and ( not "d") )  )  and "e" )  and ("f" and "g" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aromatic amines by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA binding by OECD ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Alkali Earth OR Halogens by Groups of elements

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS ONLY

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.98

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 7.63

Interpretation of results:
other: Sensitizing
Conclusions:
 The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be sensitizing to the skin of guinea pigs. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) induced skin sanitization effects and hence is considered to be sensitizing to guinea pigs.
Executive summary:

The skin sensitization potential of 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be sensitizing to the skin of guinea pigs. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) induced skin sanitization effects and hence is considered to be sensitizing to guinea pigs and can be classified under the category ˋ Skin Sensitizer ’ as per CLP regulation.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (sensitising)
Additional information:

Various studieshas been investigated for the test chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs and humans for target chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6).The predicted data using the OECD QSAR toolbox and Danish QSAR database has also been compared with the experimental data and summarized as below;

 

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor,skin sensitization potential was estimated for 4-(Diethylamino)azobenzene (CAS No: 2481-94-9). The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is estimated to be sensitizing to the skin of guinea pig.

 

According to Danish QSAR database, the skin sensitization effects were estimated by using four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra for4-(Diethylamino)azobenzene (CAS No: 2481-94-9) .Based on estimation, severe skin sensitization reactions were observed in guinea pigs and humans. Therefore,4-(Diethylamino)azobenzene (CAS No: 2481-94-9)was considered to be sensitizing.

 

The TAKEHITO KGZUKA, MINORU TASHIR0, SHIGEHARU SANO, KEIICHI FUJIMOTO, YUMI NAKAMURA, SEIICHI HASHIMOTO AND GEN NAKAMINAM (1980)carried out skinsensitization study in human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R forstructurally similar read across substance1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6). The patch of 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was applied onto the back of each patient for 24 hours by usingFinn Chambers® on Scanpor® (Epitest, Ltd. Oy). After removal of patch, skin reactions were assessedaccording to the ICDRG classification for 2 days.Twenty-eight healthy female volunteers, aged 20 and 21, were also tested with the sample as controls. None gave a positive reaction. Since thepositive reactions were seen in 2 out of total 8 cases,the test chemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)was considered to be sensitizingin human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R.

 

The above results were further supported by the experimental study conducted by Garrigues NW, Carraway JH (1983)forstructurally similar read across substance 1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6)in a human female. A 48 hour epicutaneous occlusive patch for 5%1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol along with other 23 commonly encountered Allergens were applied on same human female. The reaction was scored by sensitization index. A ++++ (erosive) score was observed for1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol.While all other patches were non –reactive. Therefore 1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6)was considered to be sensitizing in human female by patch test.

 

Based on the available data for the target substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances,it can be concluded thatchemical 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is able to cause skin sensitization and thus can be considered as sensitizing .

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

The skin sensitization potential of test substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6) were observed in various studies. From the results obtained from these studies it is concluded that the chemical 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is able to cause skin sensitization and hence can be classified under the category ˋ Skin Sensitizer ’ as per CLP regulation.

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