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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24F2N6O
Molecular Weight 366.4089
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GOSOGLIPTIN

SMILES

FC1(F)CCN(C1)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChIKey=QWEWGXUTRTXFRF-KBPBESRZSA-N
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

HIDE SMILES / InChI
Molecular Formula C17H24F2N6O
Molecular Weight 366.4089
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:43:29 UTC 2023
Edited
by admin
on Fri Dec 15 17:43:29 UTC 2023
Record UNII
GI718UO477
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOSOGLIPTIN
INN   USAN  
USAN   INN  
Official Name English
(3,3-Difluoropyrrolidin-1-yl){(2S,4S)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl}methanone
Systematic Name English
PF-734200
Code English
gosogliptin [INN]
Common Name English
GOSOGLIPTIN [USAN]
Common Name English
Gosogliptin [WHO-DD]
Common Name English
METHANONE, (3,3-DIFLUORO-1-PYRROLIDINYL)((2S,4S)-4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-
Systematic Name English
PF-734,200
Code English
PF-00734200
Code English
Classification Tree Code System Code
NCI_THESAURUS C98086
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
Code System Code Type Description
FDA UNII
GI718UO477
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
INN
9148
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
USAN
UU-151
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
SMS_ID
300000034154
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
CAS
869490-23-3
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
ChEMBL
CHEMBL515387
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID601007213
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
PUBCHEM
11516136
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
WIKIPEDIA
Gosogliptin
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
DRUG BANK
DB08382
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
NCI_THESAURUS
C90616
Created by admin on Fri Dec 15 17:43:29 UTC 2023 , Edited by admin on Fri Dec 15 17:43:29 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
Structure of GOSOGLIPTIN
EXCRETED UNCHANGED
FECAL
Structure of GOSOGLIPTIN
EXCRETED UNCHANGED
URINE
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of METHANONE, (3,3-DIFLUORO-1-PYRROLIDINYL)((2S,4S)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-
METABOLITE -> PARENT
FECAL
Structure of METHANONE, (3,3-DIFLUORO-1-PYRROLIDINYL)((2S,4S)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-
METABOLITE -> PARENT
URINE
Structure of METHANONE, (3,3-DIFLUORO-1-PYRROLIDINYL)((2S,4S)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-
METABOLITE -> PARENT
PLASMA
Structure of L-PROLINE, 4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-, (4S)-
METABOLITE -> PARENT
FECAL
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((2S,4S)-2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-1-PYRROLIDINECARBOXYLATE)
METABOLITE -> PARENT
PLASMA
Structure of 1-PIPERAZINECARBOXIMIDAMIDE, 4-((3S,5S)-5-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-3-PYRROLIDINYL)-
METABOLITE -> PARENT
FECAL
Structure of (3,3-DIFLUOROPYRROLIDIN-1-YL)-((2S,4S)-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)PYRROLIDIN-2-YL)METHANONE
METABOLITE -> PARENT
URINE
Structure of L-PROLINE, 4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-, (4S)-
METABOLITE -> PARENT
URINE
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((2S,4S)-2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-1-PYRROLIDINECARBOXYLATE)
METABOLITE -> PARENT
Metabolite M9 could not be chromatographically resolved in human urine.
URINE
Structure of 1-PIPERAZINECARBOXIMIDAMIDE, 4-((3S,5S)-5-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-1-FORMYL-3-PYRROLIDINYL)-
METABOLITE -> PARENT
URINE
Structure of 1-PYRROLIDINECARBOXALDEHYDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-
METABOLITE -> PARENT
URINE
Structure of 1-PYRROLIDINECARBOXAMIDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of GOSOGLIPTIN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

IN HEALTHY MALE VOLUNTEERS

Biological Half-life PHARMACOKINETIC IN HEALTHY MALE VOLUNTEERS

SINGLE DOSE

ORAL ADMINISTRATION

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