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Diss Factsheets

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-01-31 to 2017-05-24
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method

Test material

Constituent 1
Chemical structure
Reference substance name:
(2S)-2-[(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
Cas Number:
16524-65-5
Molecular formula:
C30H43NO4
IUPAC Name:
(2S)-2-[(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study report): JNJ-18163678-AAA (T002713)
- Physical state: solid (powder)
- Appearance: White powder
Specific details on test material used for the study:
- Batch n°: I16FB3164
- Analytical purity: 100.0% (based on base titration, calculated on dry basis)
- Expiration date: 2017-06-28
- Storage condition: at room temperature

Results and discussion

Water solubility
Key result
Water solubility:
1.77 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
20 °C
pH:
>= 6.4 - <= 8.1
Details on results:
Preliminary test
The content of test item dissolved in the water sample was 2.27 mg/L.

Main test
The results for the samples taken at a flow rate of 12 and 24 mL/h are given in the table in the next section.
The coefficient of variation (CV) (n = 5 for flowrate 24 mL/h, n = 10 for flow rate 12 mL/h) was ≤ 30% at both flow rates. It demonstrated that the system was equilibrated at all flow rates.
The maximum difference (MD) on the mean values of the samples at both flow rates was also ≤ 30%. Based on this, the water solubility of the test item is given as the mean value of these measurements.
The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.
Small responses were observed in the samples from the blank column. As the contribution of both responses to the water solubility determined at the same flow was <0.1%, the study was considered not impacted.

Storage stability of water solubility samples
Since the mean accuracy of the stored QC samples fell in the criterion 70.00-110.00% the water solubility samples were stable when stored overnight at room temperature. As the samples were found stable in an aqueous environment and the stability in acetonitrile was already proven during validation, it was concluded that storage of the samples overnight did not impact the study.

Any other information on results incl. tables

 Flow rate [mL/h]  Mean concentration [mg/L]1  Coefficient of variation (CV) [%]  Mean concentration [mg/L]2 Maximum Difference (MD) [%]  pH
 24  1.75  16.38  1.77  2.85  8.1
 12  1.80  5.67      6.4

1: Mean of the concentrations obtained at one flow rate.

2: Mean of the concentrations obtained at both flow rates.

Applicant's summary and conclusion

Conclusions:
The column elution method was applied for the determination of the water solubility of JNJ-18163678 AAA (T002713).
The water solubility of the test item at 20°C was 1.77 mg/L.
The pH of the aqueous samples was 6.4 - 8.1.