Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28.08.2007 - 30.10.2007
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
other: Body responsible for the test
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: 92/69/EEC. A.6. Shake flask method.
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
Cas Number:
172529-93-0
Molecular formula:
C12 H14 Cl N5 O4
IUPAC Name:
1,3-dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
Constituent 2
Reference substance name:
2-Amino-6-chloro-9-(methyl-2-carbomethoxybutanoate-4- yl)purine
IUPAC Name:
2-Amino-6-chloro-9-(methyl-2-carbomethoxybutanoate-4- yl)purine
Details on test material:
Formula: C12H14ClN5O4
Appearance: White to pale yellow solid
Expiry Date: 31 December 2007

Results and discussion

Water solubilityopen allclose all
Water solubility:
146 mg/L
Temp.:
10 °C
pH:
ca. 7.8
Water solubility:
232.3 mg/L
Temp.:
20 °C
pH:
7.2
Water solubility:
395.2 mg/L
Temp.:
30 °C
pH:
6.8

Any other information on results incl. tables

The preliminary water solubility of "Fam-stage-1" is 262 mg/L at 20 °C. The result of the estimation of the water solubility is of limited reliability and only serves to choose the method for the main test (higher or lower than 10 mg/L, according to the guidelines).

Mean: 146.0 mg/L, standard deviation: 7.7, three replicates, temperature 10.0 °C.

Mean: 232.3 mg/L, standard deviation: 8.3, three replicates, temperature 20.0 °C.

Mean: 395.2 mg/L, standard deviation: 5.2, three replicates, temperature 30.0 °C.

Applicant's summary and conclusion