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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: Validated QSAR model for reproductive toxicity effects from teratology and multigenerational reproductive toxicity studies
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Computer modeling using MultiCASE SAR to predict whether a substance has adverse effects on reproduction
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N-dimethylpyridin-4-amine
EC Number:
214-353-5
EC Name:
N,N-dimethylpyridin-4-amine
Cas Number:
1122-58-3
Molecular formula:
C7H10N2
IUPAC Name:
N,N-dimethylpyridin-4-amine

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:
other: fetal dysmorphogenesis (malformations)
Basis for effect level:
other: developmental toxicity

Results (fetuses)

Effect levels (fetuses)

Dose descriptor:
other: Fetal growth retardation
Basis for effect level:
other: fetotoxicity

Fetal abnormalities

Abnormalities:
not specified

Overall developmental toxicity

Developmental effects observed:
not specified

Any other information on results incl. tables

No structural alerts were found for fetal dysmorphogenesis (malformations); the substance is predicted to be negative for developmental toxicity (structural effects).

An auxilliary model for fetal growth retardation was also run on DMAP, with the finding of "inconclusive".

The predicted value (model result): 43.61. Threshold for a positive: 50.00.

Predicted value (comments): The results of activity prediction is INCONCLUSIVE.  (Possible outcomes are Negative, Marginal, Positive, Inconclusive and Out of Domain.)

Alert ID 108:cH:c:cH:cH:n

This alert occurs 2 times in the test chemical.

- 5 out of 7 (71.4%) molecules containing this alert are positive with an average activity of 29.86 Case.

- 2 out of these 5 positive chemicals are supported by 3 other positive alerts of which none is present in this test chemical.

- The positive chemicals of this alert are not supported by any positive modulators.

 

Contribution in Binary Classification:

Local binary QSAR is not applicable for this alert.

Contribution of this alert to the global QSAR = 1.000

This alert if present alone will give a probability of 48.0% which is not enough to make a positive call.

 

The prediction call is inconclusive because the calculated probability is not low enough to make a negative call and not high enough to make a positive call.

Applicant's summary and conclusion

Conclusions:
In a validated SAR model, DMAP was predicted to be "inactive" or "negative" for developmental toxicity. In a QSAR model for fetal growth retardation,the prediction for DMAP was inconclusive. Overall, DMAP is not predicted to be a developmental toxicant in rodents.