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EC number: 230-663-3 | CAS number: 7251-52-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Carcinogenicity
Administrative data
Description of key information
Carcinogenicity on rat and mouse (male and female) was estimated by using two predictors: ACD/Percepta and Leadscope Model Applier.
Key value for chemical safety assessment
Justification for classification or non-classification
ACD/Percepta prediction for carcinogenicity on rat and mouse male and female resulted to be undefined, meaning that the target 2-phenyl-2-(pyridin-2-yl)acetamide could not be reliably classified on the basis of p and RI values.
Leadscope FDA Model Applier prediction for carcinogenicity on rat and mouse (both males and females) resulted to be NEGATIVE, since the positive prediction probability was equal to 0.44 (male) and 0.03 (female) for rat and equal to 0.08 (male) and 0.22 (female) for mouse.
Since at least eight features were found, it was concluded that 2-phenyl-2-(pyridin-2-yl)acetamide is represented by the models. Additionally, all the identified features are mainly represented in negative training compounds. The robustness of the prediction was further evaluated by examining compounds similar to the target from the training set. While this information does not take part to the prediction, it provides the complementary means to see how similar compounds were predicted and what the experimental values of similar compounds are. For rat two compounds from the training set of Car Rat Male model and Car Rat Female model were identified as analogues to 2-phenyl-2-(pyridin-2-yl)acetamide (similarity > 30%), and one of them with similarity greater than 0.5 and consistent negative test result. Based on this consideration, Leadscope predictions were assessed as moderate reliable.
For mouse, only one compound from the training set of Car Mouse Male model and Car Mouse Female model was identified as analogue (similarity > 30%), which however, exhibits little similarity (similarity < 50%) with respect to the target. Based on this consideration, Leadscope predictions were assessed as borderline reliable.
Based on described results, it was concluded that the target 2-phenyl-2-(pyridin-2-yl)acetamide is predicted NEGATIVE for carcinogenicity and the prediction was assessed as moderate reliable.
Additional information
ACD/Percepta models for carcinogenicity in rat and mouse estimate probability (“p-value”) that a compound will result positive in the carcinogenicity tests. The reliability of prediction is assessed in terms of reliability index (RI), which ranges from 0 to 1 and takes into account the similarity of the target with the training set compounds and the consistency of experimental values for similar compounds. A “positive” or “negative” call is provided if the compound can be reliably classified on the basis of p and RI values (“Undefined” otherwise).
Leadscope models estimate the probability that a compound will result positive in the two carcinogenicity tests. For each model, Leadscope results include the prediction call for carcinogenicity on rat and mouse (positive, negative or not in domain), a positive prediction probability and two parameters which assess the reliability of the prediction: 1) Model Features Count, i.e., containing structural model features that are present in the prediction model; 2) 30% Similarity Training Neighbours Count, i.e. number of training compounds with at least 30 % similarity.
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