4'-amino-2',5'-diethoxybenzanilide

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation: in vivo (non-LLNA)

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other: Predicted data

Title:

R: QSAR Toolbox 3.1: Weakly positive; Estimation for EC3 for CAS 120-00-3

Author:

Sustainability Support Services (Europe) AB

Year:

2013

Bibliographic source:

QSAR Toolbox version 3.1

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

Prediction done by QSAR Toolbox Version 3.1

GLP compliance:

no

Type of study:

guinea pig maximisation test

Test material

Test material information

Constituent 1

Reference substance name:

4'-amino-2',5'-diethoxybenzanilide

EC Number:

204-363-8

EC Name:

4'-amino-2',5'-diethoxybenzanilide

Cas Number:

120-00-3

Molecular formula:

C17H20N2O3

IUPAC Name:

4'-amino-2',5'-diethoxybenzanilide

Details on test material:

SMILES:C(=O)(c1ccccc1)Nc1c(OCC)cc(N)c(OCC)c1

In vivo test system

Test animals

Species:

guinea pig

Strain:

not specified

Sex:

not specified

Study design: in vivo (non-LLNA)

Induction

Route:

other:

Vehicle:

no data

Challenge

Route:

other: unspecified

Vehicle:

no data

Results and discussion

In vivo (non-LLNA)

Results

Reading:

1st reading

Group:

test chemical

Clinical observations:

Weakly Sensitizing

Remarks on result:

other: Reading: 1st reading. Group: test group. Clinical observations: Weakly Sensitizing.

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: EC3
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(c1ccccc1)Nc1c(OCC)cc(N)c(OCC)c1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(=O)(c1ccccc1)Nc1c(OCC)cc(N)c(OCC)c1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Highly reactive (GSH) OR Highly reactive (GSH) >> Vinylene-sub. chalcones (MA) OR Moderately reactive (GSH) OR Moderately reactive (GSH) >> Alkyl 2-alkenoates (MA) by Protein binding potency

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.48

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.9

Applicant's summary and conclusion

Interpretation of results:

other: Weakly positive

Remarks:

Criteria used for interpretation of results: EU

Conclusions:

In the Guinea pig maximization test, as predicted by the QSAR model, the chemical 4'-amino-2',5'-diethoxybenzanilide was found to be weakly-sensitizing to the skin of guinea pig. However, this level of sensitization was not found high enough to classify the chemical as a skin sensitizer.

Executive summary:

In the Guinea pig maximization test, as predicted by the QSAR model, the chemical 4'-amino-2',5'-diethoxybenzanilide was found to be weakly-sensitizing to the skin of guinea pig. However, this level of sensitization was not found high enough to classify the chemical as a skin sensitizer.