Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 March - 25 April 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
METHYL (1R,2R,4S)-2-[HEX-5-EN-1-YL(METHYL)CARBAMOYL]-4-({7-METHOXY-8-METHYL-2-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]QUINOLIN-4-YL}OXY)CYCLOPENTANECARBOXYLATE
EC Number:
922-147-8
Cas Number:
1042695-87-3
Molecular formula:
C32H41N3O5S
IUPAC Name:
METHYL (1R,2R,4S)-2-[HEX-5-EN-1-YL(METHYL)CARBAMOYL]-4-({7-METHOXY-8-METHYL-2-[4-(PROPAN-2-YL)-1,3-THIAZOL-2-YL]QUINOLIN-4-YL}OXY)CYCLOPENTANECARBOXYLATE
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study reports): JNJ-39125593-AAA (T003019)
- Physical state: solid
- Appearance: white powder
Specific details on test material used for the study:
- Batch n°: M15FB2925
- Analytical purity: 99.5%
- Expiration date: 31 May 2017
- Storage condition: at room temperature protected from light

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
133.4 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Remarks:
A charred residue remained after the preliminary and main test, indicating reaction and/or decomposition.
Decomp. temp.:
>= 325 °C

Any other information on results incl. tables

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 350°C. At 396°C the sample weight has decreased by 25%. After the experiment, a charred residue remained in the sample container (original colour: white). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve was obtained with a heating rate of 20°C/min and showed an endothermic peak between 125°C and 175°C. The extrapolated onset temperature of the peak was 133.07°C. The effect was most likely obtained due to melting. An exothermic effect was observed between 325°C and 400°C. Reaction and/or decomposition is most likely the cause of this effect. After the experiment, a charred residue remained.

To investigate the melting peak between 125°C and 175°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 133.69°C. The melting temperature of T003019 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 133.4°C (407K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-39125593-AAA (T003019) was determined at 133.4°C (407K) by using DSC.