NVP-DPP-728

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H18N6O
Molecular Weight	298.343
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(CNCCNC1=NC=C(C=C1)C#N)N2CCC[C@H]2C#N

InChI

InChIKey=VFFZWMWTUSXDCB-ZDUSSCGKSA-N

InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H18N6O
Molecular Weight	298.343
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Dipeptidyl peptidase IV 37 Target ID: CHEMBL284 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10512614	Inhibitor 8297		11.0 nM [Ki]
Dipeptidyl peptidase IV 37 Target ID: CHEMBL284 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10512614	Inhibitor 8297		11.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:17:35 GMT 2023` Edited by `admin` on `Sat Dec 16 11:17:35 GMT 2023`
Record UNII	HCX5M1YIOM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NVP-DPP-728

Code

English

NVP-728

Code

English

(2S)-1-(2-((2-((5-CYANO-2-PYRIDYL)AMINO)ETHYL)AMINO)ACETYL)PYRROLIDINE-2-CARBONITRILE

Systematic Name

English

3-PYRIDINECARBONITRILE, 6-((2-((2-((2S)-2-CYANO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)ETHYL)AMINO)-

Systematic Name

English

6-(2-((2-((2S)-2-CYANOPYRROLIDIN-1-YL)-2-OXO-ETHYL)AMINO)ETHYLAMINO)PYRIDINE-3-CARBONITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

HCX5M1YIOM

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

EPA CompTox

DTXSID70624696

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

CAS

247016-69-9

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

PUBCHEM

9796290

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

Related Record Type Details


					PWKTKAMJUR

NVP-DPP-728 DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					HCX5M1YIOM

NVP-DPP-728

ACTIVE MOIETY

Comments:

In the present study NVP-DPP728 was found to inhibit human DPP-IV amidolytic activity with a Ki of 11 nM, a kon value of 1.3x10^5 M^-1 s^-1, and a koff of 1.3x10^-3 s^-1.