Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
developmental toxicity
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: This is a validated SAR model where the substance falls within the applicability domain of the model, as provided in the attached documentation. The results are adequate for the purpose of classification and labeling, and for risk assessment.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Guideline:
other: Qualitative SAR prediction
Principles of method if other than guideline:
The cat-SAR structure-activity relationship (SAR) program estimates the toxicological properties of chemicals based on information from previously tested compounds and the method has been described in detail in several peer-reviewed publications. The models are built for specific toxicological endpoints and describe chemical substructures that differentiate between active and inactive chemicals for the endpoint of interests (e.g., carcinogens and noncarcinogens). The cat-SAR approach is a qualitative SAR method. Chemicals in the model’s learning set are classified as positive or negative (rather than units of potency). The metric of activity is used to determine the classification based on a defined Cut-Point value that separates positive from negative prediction. The model’s sensitivity, specificity, and concordance are used to judge the likelihood that a prediction is accurate.
GLP compliance:
no
Limit test:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-vinylpyridine
EC Number:
202-852-0
EC Name:
4-vinylpyridine
Cas Number:
100-43-6
Molecular formula:
C7H7N
IUPAC Name:
4-ethenylpyridine
Details on test material:
SMILES: C=Cc1ccncc1

Test animals

Species:
other: rodent and human

Administration / exposure

Doses / concentrations
Remarks:
Doses / Concentrations:

Basis:

Results and discussion

Results: maternal animals

Maternal developmental toxicity

Details on maternal toxic effects:
Maternal toxic effects:no data

Effect levels (maternal animals)

Dose descriptor:
other: SAR prediction
Basis for effect level:
other: developmental toxicity

Results (fetuses)

Details on embryotoxic / teratogenic effects:
Embryotoxic / teratogenic effects:no effects. Remark: Death, growth retardation, functional and structural abnormalities were examined in the model.

Details on embryotoxic / teratogenic effects:
Embryotoxic/teratogenic effects included in the model:
Data on developmental toxicity included death, growth retardation, functional and structural abnormalities. These were derived from the US FDA guidelines as described by Ghanooni, M, et al., (1997, Structural determinants associated with risk of human developmental toxicity. American Journal of Obstetrics and Gynecology 176, 799-806).

Fetal abnormalities

Abnormalities:
not specified

Overall developmental toxicity

Developmental effects observed:
not specified

Any other information on results incl. tables

Predicted value (model results):  0.04 (based on 10 fragments present in the test material).   Value needed to qualify as a developmental toxicant (Cut-point to separate activity categories) = 0.27. As the predicted values fall well short of the cut-point, the predicted category the test material = Non Developmental Toxicant .

Applicant's summary and conclusion

Conclusions:
(Cun