16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

Genetic toxicity: in vitro

Administrative data

Endpoint:

in vitro gene mutation study in bacteria

Remarks:

Type of genotoxicity: gene mutation

Type of information:

migrated information: read-across based on grouping of substances (category approach)

Adequacy of study:

key study

Study period:

2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: This study is classified as reliable with restrictions because it is an acceptable and reliable study carried out by OECD ToolBox 3.2.0. Meets generally accepted scientific principles, acceptable for assessment.

Data source

Reference

Reference Type:

other: software

Title:

QSAR ToolBox 3.2.0.103

Author:

OECD

Year:

2014

Bibliographic source:

http://www.oecd.org/env/ehs/risk-assessment/theoecdqsartoolbox.htm

Materials and methods

Principles of method if other than guideline:

Read-across from category members

GLP compliance:

not specified

Type of assay:

bacterial reverse mutation assay

Test material

Test material information

Constituent 1

Reference substance name:

Prednisolone

EC Number:

200-021-7

EC Name:

Prednisolone

Cas Number:

50-24-8

IUPAC Name:

11,17,21-trihydroxypregna-1,4-diene-3,20-dione

Constituent 2

Reference substance name:

2-bromo-6β,9-difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)

EC Number:

260-951-4

EC Name:

2-bromo-6β,9-difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)

Cas Number:

57781-14-3

IUPAC Name:

2-bromo-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate

Constituent 3

Reference substance name:

Medroxyprogesterone acetate

EC Number:

200-757-9

EC Name:

Medroxyprogesterone acetate

Cas Number:

71-58-9

IUPAC Name:

6-methyl-3,20-dioxopregn-4-en-17-yl acetate

Constituent 4

Reference substance name:

96301-34-7

Cas Number:

96301-34-7

IUPAC Name:

96301-34-7

Constituent 5

Reference substance name:

105149-00-6

Cas Number:

105149-00-6

IUPAC Name:

105149-00-6

Method

Species / strain

Species / strain / cell type:

S. typhimurium, other: no data on strains

Results and discussion

Test results

Species / strain:

S. typhimurium, other: no data on strains

Genotoxicity:

negative

Any other information on results incl. tables

Toxicity of the target chemical (Negative) is predicted from category members using read-across based on 61 values (Negative x61) from 5 nearest neighbours compared by prediction descriptors. Category members are single chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having experimental data are listed in the category.

The target chemical FALLS within applicability domain of the prediction.

The descriptor values for the target chemical and the category members in case they are set of tautomers, set of metabolites or mixtures are calculated using the following rule(s):

1. "log Kow" - taking the weighted average value

2. "Similarity" - taking the weighted average value

The endpoint data used in the prediction is selected from the following database(s):

1. Bacterial mutagenicity ISS STY

2. Genotoxicity OAS IS

The prediction is based on 61 neighbours' values, 61 of them equal to prediction.

Prediction confidence is measured by the p-value = 7.86E-30 (very strong confidence)

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information):
negative

By this read-across approach with a structural analogues, emerged that the substance 16a,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate has no genetic toxicity.