IMIGLIPTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24N6O
Molecular Weight	376.4549
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(=O)N(CC2=CC=CC=C2C#N)C3=C(C=C(C)N=C13)N4CCC[C@@H](N)C4

InChI

InChIKey=UWSKGQJKQNVRJZ-QGZVFWFLSA-N

InChI=1S/C21H24N6O/c1-14-10-18(26-9-5-8-17(23)13-26)19-20(24-14)25(2)21(28)27(19)12-16-7-4-3-6-15(16)11-22/h3-4,6-7,10,17H,5,8-9,12-13,23H2,1-2H3/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24N6O
Molecular Weight	376.4549
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:07:19 GMT 2023` Edited by `admin` on `Sat Dec 16 12:07:19 GMT 2023`
Record UNII	68UX3YT8DK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IMIGLIPTIN

Common Name

English

2-((7-((3R)-3-AMINO-1-PIPERIDINYL)-2,3-DIHYDRO-3,5-DIMETHYL-2-OXO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)METHYL)BENZONITRILE

Systematic Name

English

BENZONITRILE, 2-((7-((3R)-3-AMINO-1-PIPERIDINYL)-2,3-DIHYDRO-3,5-DIMETHYL-2-OXO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)METHYL)-

Systematic Name

English

Code System Code Type Description

MANUFACTURER PRODUCT INFORMATION

IMIGLIPTIN

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

PRIMARY

PUBCHEM

53311070

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

PRIMARY

FDA UNII

68UX3YT8DK

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

PRIMARY

CAS

1314944-07-4

Created by admin on Sat Dec 16 12:07:19 GMT 2023 , Edited by admin on Sat Dec 16 12:07:19 GMT 2023

PRIMARY

Related Record Type Details


					R2DSA9X1S7

IMIGLIPTIN DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					68UX3YT8DK

IMIGLIPTIN

ACTIVE MOIETY

Comments:

Results: Full PK/PD profiles in animal were summarized for imigliptin, sitagliptin and alogliptin. Imigliptin CL, Vss, and Fa were predicted to be 19.1 L/h, 247 L, and 0.81 in humans, respectively. Predicted imigliptin AUCs, AUECs, and Emax in humans were within 0.81.2 times of observed values whereas other predicted PK/PD parameters were within 0.51.5 times of observed values. Conclusions: By integrating available preclinical and clinical data, FIH PK/PD profiles of imigliptin could be accurately predicted.