ChemicalBook--->CAS DataBase List--->869490-23-3

869490-23-3

869490-23-3 Structure

869490-23-3 Structure
IdentificationBack Directory
[Name]

(3,3-Difluoropyrrolidin-1-yl)[(2S,4S)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
[CAS]

869490-23-3
[Synonyms]

PF-734200
Gosogliptin
PF-00734200
(3,3-Difluoropyrrolidin-1-yl)[(2S,4S)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
Methanone, (3,3-difluoro-1-pyrrolidinyl)[(2S,4S)-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-pyrrolidinyl]-
[Molecular Formula]

C17H24F2N6O
[MOL File]

869490-23-3.mol
[Molecular Weight]

366.41
Chemical PropertiesBack Directory
[Boiling point ]

562.3±60.0 °C(Predicted)
[density ]

1.36
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: soluble
[form ]

A solid
[pka]

8.95±0.10(Predicted)
[color ]

White to yellow
[InChI]

InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
[InChIKey]

QWEWGXUTRTXFRF-KBPBESRZSA-N
[SMILES]

C(N1CCC(F)(F)C1)([C@@H]1C[C@H](N2CCN(C3=NC=CC=N3)CC2)CN1)=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Gosogliptin is used as a treatment for type 2 diabetes.
[Definition]

ChEBI: Gosogliptin is an amino acid amide.
[in vivo]

The objectives of the present study are to characterize the metabolism, pharmacokinetics, and excretion of [14C] Gosogliptin in Sprague-Dawley (SD) rats, beagle dogs, and humans. A single dose of [14C] Gosogliptin is administered orally to intact SD rats (5 mg/kg), beagle dogs (5 mg/kg), and humans (20 mg). After a single oral dose of [14C] Gosogliptin to SD rats, an overall mean of 97.1% of the administered radioactivity is recovered in the urine, feces, and cage wash over a period of 168 h postdose. The mean cumulative dose recovered in feces is 66.0%. The mean cumulative excretion in the urine is 30.8%. Approximately 95% of the excreted radioactivity recovery occurred in the first 48 h. Mean total recoveries of dosed radioactivity from bile duct-cannulated rats are 29.5% in urine and 62.0% in bile. No gender-related differences are observed in the excretion pattern of radioactivity[2].

[IC 50]

DPP-4
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

(3,3-Difluoropyrrolidin-1-yl)[(2S,4S)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone(869490-23-3)1HNMR
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