4-vinylpyridine

Toxicity to reproduction

Administrative data

Endpoint:

fertility, other

Remarks:

based on test type (migrated information)

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:

2011

Report date:

2010

Materials and methods

Test guideline

Guideline:

other: QSAR of fertility study

Principles of method if other than guideline:

The reproductive toxicity potential of 4- vinylpyridine was investigated using structure activity relationship (SAR) prediction using substances of similar structure and behaviour. These are contained within the MC4PC modules built for reproductive toxicity: the current U.S. Food and Drug Administration (FDA) ReproTox set and the legacy reprotox set.

GLP compliance:

no

Test material

Test material information

Constituent 1

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

Test material form:

not specified

Details on test material:

SMILES code: C=CC1=CC=NC=C1

Test animals

Species:

other: rat, mouse, rabbit, human

Sex:

male/female

Administration / exposure

Route of administration:

other: unspecified

Details on study design:

The hazard assessment has been performed with a computer based expert system, consisting of the MC4PC software and several sets of carefully designed expert modules. MC4PC is a knowledge-based system designed to uncover the relationship between the structure of the chemicals and their activity in a specific biological assay. The modules were developed by the ICSAS group of the US FDA under a CRADA agreement with MultiCASE and by MultiCASE Inc., one from the public domain and the other from modern FDA archive data, which are routinely used by the FDA scientists in their regulatory support practice. The public domain set (Legacy Reprotox set) consists of 7 modules, designed from the openly published results of reproductive toxicity tests date for rat, mouse, rabbit and humans. The modern reproductive toxicity set consists of modules developed from the FDA archives and public domain data containing the results of following assays: Reproductive toxicity in adult males, sperm toxicity and reproductive toxicity in females. These modules are routinely used in the FDA’s regulatory practice. Additional information on these modules is available upon request. The name and CAS number for the chemical was provided to MultiCASE Inc. by the sponsor and converted into the SMILES code. SMILES encoding was submitted as the input data for the models, and basic physiochemical properties (i.e., water solubility, octanol/water partition coefficient (LogP), Lipinsky’s rule of five for predicted bioavailability, and percent human intestinal absorption) were determined for this data by built-in MC4PC subroutines.
The prediction was made using version 2.4.1.4 of MC4PC.
Data sets include: Reproductive toxicity in Adult Males, Rodents (AO1, AO2, AO3), Rat (AO4, AO5, AO6) and Mouse (AO7); Sperm Toxicity in mammals (AP1, AP2, AP3), Rat (AP4, AP5, AP6) and Mouse (AP7); Reproductive toxicity in females: Rodents (AN1, AN2, AN3, AN4), Rat (AN5, AN6, AN7, AN8) and Mouse (AN9).

Results and discussion

Results: P0 (first parental generation)

General toxicity (P0)

Histopathological findings: non-neoplastic:

no effects observed

Reproductive function / performance (P0)

Reproductive function: oestrous cycle:

no effects observed

Reproductive function: sperm measures:

no effects observed

Reproductive performance:

no effects observed

Details on results (P0)

The structure of 4-vinylpyridine was predicted to be negative in all 23 individual data sets pertaining to reproductive toxicity. The conclusion is that the substance is not a reproductive toxicant.

Effect levels (P0)

Dose descriptor:

other: reproductive function (fertility)

Based on:

other: structure-activity relationship

Sex:

male/female

Basis for effect level:

other: Structure-activity relationship analysis predicts no activity of the test material in parental (male and female) reproductive parameters.

Remarks on result:

not measured/tested

Remarks:

Effect level not specified (migrated information)

Results: F1 generation

General toxicity (F1)

Gross pathological findings:

no effects observed

Description (incidence and severity):

teratogenicity

Details on results (F1)

no data

Overall reproductive toxicity

Reproductive effects observed:

not specified

Any other information on results incl. tables

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:

The reproductive toxicity (male and female fertility) potential of 4- vinylpyridine was investigated using structure activity relationship (SAR) prediction using substances of similar structure and behaviour. When compared against structure-activity relationships in 23 individual data sets pertaining to reproductive toxicity, the structure of 4-vinylpyridine was negative in all. The final conclusion is that the tested chemical is considered to be nonthreatening to humans from this evaluation.