Synonym
GSK-823093; GSK 823093; GSK823093; GW823093; GW-823093; GW 823093; GW823093C; GW-823093C; GW 823093C; Denagliptin, Denagliptin tosylate,
IUPAC/Chemical Name
(2S,4S)-1-((S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl)-4-fluoropyrrolidine-2-carbonitrile 4-methylbenzenesulfonate
InChi Key
MSCWUTTUQLYJFT-QMBKNIKNSA-N
InChi Code
InChI=1S/C20H18F3N3O.C7H8O3S/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,16-19H,9,11,25H2;2-5H,1H3,(H,8,9,10)/t16-,17-,19-;/m0./s1
SMILES Code
CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@@H](CN([C@@H]1C#N)C(=O)[C@H](C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N)F
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
|
Solvent |
mg/mL |
mM |
| Solubility |
| Soluble in DMSO, not in water |
0.0 |
100.00 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
545.58
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: De Serres M, Bowers G, Boyle G, Beaumont C, Castellino S, Sigafoos J, Dave M, Roberts A, Shah V, Olson K, Patel D, Wagner D, Yeager R, Serabjit-Singh C. Evaluation of a chimeric (uPA+/+)/SCID mouse model with a humanized liver for prediction of human metabolism. Xenobiotica. 2011 Jun;41(6):464-75. doi: 10.3109/00498254.2011.560295. Epub 2011 Mar 4. PubMed PMID: 21370990.
2: Joshi BK, Ramsey B, Johnson B, Patterson DE, Powers J, Facchine KL, Osterhout M, Leblanc MP, Bryant-Mills R, Copley RC, Sides SL. Elucidating the pathways of degradation of denagliptin. J Pharm Sci. 2010 Jul;99(7):3030-40. doi: 10.1002/jps.22069. PubMed PMID: 20112433.
