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EC number: 245-821-7 | CAS number: 23680-84-4
- 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
Endpoint summary
Administrative data
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose oral toxicity was predicted for the test compound 2-Chloro-6,7-dimethoxy-4-quinazolinamine. The study assumed the use of male and female Wistar rats in a study 5 days. No significant alterations were noted at the dose level of 566.666687012 mg/Kg bw/day. The predicted No Observed Adverse Effect Level (NOAEL) for 2-Chloro-6,7-dimethoxy-4-quinazolinamine is considered to be 566.666687012 mg/Kg bw/day.
Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR Toolbox version 3.4 and the spporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.4, 2017
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 2-Chloro-6,7-dimethoxy-4-quinazolinamine
- IUPAC name: 2-chloro-6,7-dimethoxyquinazolin-4-amine
- Molecular formula: C10H10ClN3O2
- Molecular weight: 239.661 g/mol
- Smiles notation: n1c(c2cc(OC)c(cc2nc1Cl)OC)N
- Substance type: Organic - Species:
- rat
- Strain:
- Wistar
- Details on species / strain selection:
- No data
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data
- Route of administration:
- oral: gavage
- Details on route of administration:
- No data
- Vehicle:
- not specified
- Details on oral exposure:
- No data
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- No data
- Duration of treatment / exposure:
- 5 days
- Frequency of treatment:
- No data
- Remarks:
- No data
- No. of animals per sex per dose:
- No data
- Control animals:
- not specified
- Details on study design:
- No data
- Positive control:
- No data
- Observations and examinations performed and frequency:
- No data
- Sacrifice and pathology:
- No data
- Other examinations:
- No data
- Statistics:
- No data
- Clinical signs:
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Details on results:
- No data
- Dose descriptor:
- NOAEL
- Effect level:
- 566.667 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: No significant alteratins were noted at the mentiioned dose level
- Critical effects observed:
- not specified
- Conclusions:
- The predicted No Observed Adverse Effect Level (NOAEL) for 2-Chloro-6,7-dimethoxy-4-quinazolinamine is considered to be 566.666687012 mg/Kg bw/day.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose oral toxicity was predicted for the test compound 2-Chloro-6,7-dimethoxy-4-quinazolinamine. The study assumed the use of male and female Wistar rats in a study 5 days. No significant alterations were noted at the dose level of 566.666687012 mg/Kg bw/day. The predicted No Observed Adverse Effect Level (NOAEL) for 2-Chloro-6,7-dimethoxy-4-quinazolinamine is considered to be 566.666687012 mg/Kg bw/day.
Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" or "c" or "d" )
and "e" )
and "f" )
and ("g"
and "h" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines
AND Radical AND Radical >> Radical mechanism via ROS formation
(indirect) AND Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines by DNA binding by OASIS v.1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Nucleophilic
addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles (hypothesized) AND AN2 >> Nucleophilic addition to
pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles
(hypothesized) >> Heterocyclic Aromatic Amines AND Radical reactions AND
Radical reactions >> ROS generation and direct attack of hydroxyl
radical to the C8 position of nucleoside base AND Radical reactions >>
ROS generation and direct attack of hydroxyl radical to the C8 position
of nucleoside base >> Heterocyclic Aromatic Amines AND SE reaction
(CYP450-activated heterocyclic amines) AND SE reaction (CYP450-activated
heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8
position of nucleoside base AND SE reaction (CYP450-activated
heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8
position of nucleoside base >> Heterocyclic Aromatic Amines AND SNAr
AND SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds AND SNAr >> Nucleophilic aromatic substitution on
activated aryl and heteroaryl compounds >> Activated aryl and heteroaryl
compounds AND SR reaction (peroxidase-activated heterocyclic amines) AND
SR reaction (peroxidase-activated heterocyclic amines) >> Direct attack
of arylnitrenium radical to the C8 position of nucleoside base AND SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-pyrimidines by Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Anilines (Unhindered) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD ONLY
Domain
logical expression index: "f"
Similarity
boundary:Target:
COc1cc2c(cc1OC)c(N)nc(Cl)n2
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.09
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.13
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 566.667 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- Data is from K2 prediction database
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity: Oral
Prediction model based estimation and data from read across have been summarized to determine the toxic nature of the test compound 2-Chloro-6,7-dimethoxy-4-quinazolinamine. The studies are as summarized below:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose oral toxicity was predicted for the test compound 2-Chloro-6,7-dimethoxy-4-quinazolinamine. The study assumed the use of male and female Wistar rats in a study 5 days. No significant alterations were noted at the dose level of 566.666687012 mg/Kg bw/day. The predicted No Observed Adverse Effect Level (NOAEL) for 2-Chloro-6,7-dimethoxy-4-quinazolinamine is considered to be 566.666687012 mg/Kg bw/day.
Combined repeated dose repro-devp. Screen was performed (J check, 2016) for the test chemical 2-Amino-1-naphthalenesulfonic acid (RA CAS no 81 -16 -3) to evaluate its toxic nature upon repeated application by the oral route of exposure. The test compound was administered to Crj: CD (SD), (SPF) male and female rats at dose levels of 0, 8, 40, 200 or 1000 mg/Kg bw. The animals were observed for clinical signs, mortality, hematological and blood chemistry parameters, changes in body weight and alteration in gross and histopathology if any. Changes in organ weight in males and histopathological findings in females were noted at 1000 mg/Kg bw, no significant changes were noted at 200 mg/Kg bw in male and female animals. Therefore, the No Observed Adverse Effect Level (NOAEL) for the test chemical in Crj: CD (SD), (SPF) rats is considered to be 200 mg/Kg bw.
In a study for other read across chemical (RA CAS no 130 -13 -2) (J check, 2016), Repeated dose oral toxicity study was performed to evaluate the toxic nature of the test compound4-amino-1-sodium naphthalene sulfonic acidupon repeated application by oral route of administration. The test chemical was dosed at levels of 0, 100, 300 or 1000 mg/Kg once daily for 28 days. Recovery test was set up in the study designed. During the administration period and during the recovery test period, no deaths were observed in any of the treatment groups, and the results of general condition, body weight, food intake and urinalysis, hematology examination, pathological examination were also used for administration of the test substance There was no change thought to be caused. On the other hand, in the blood biochemical test at the end of the administration period, high GPT activity was observed in the group administered 1000 mg / kg of male and female, and it was judged that it is highly likely that it is a finding attributable to administration of the test substance. Hence, The No observed adverse effect level (NOAEL) for the test compound in male and female SPF strain Sprague Dawley rats is considered to be 300 mg/Kg bw/day.
Based on the weight of evidence data summarized, the test chemical 2-Chloro-6,7-dimethoxy-4-quinazolinamine is not likely to be a toxic compound upon repeated application by the oral route of administration.
Justification for classification or non-classification
Based on the weight of evidence data summarized, the test chemical 2-Chloro-6,7-dimethoxy-4-quinazolinamine (CAS no 23680 -84 -4) is not likely to be a toxic compound upon repeated application by the oral route of administration.
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