23Q

General

Type : Quinolizine

Chemical_Nomenclature : (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

Canonical SMILES : COC1=C(C=C2C3CC(C(CN3CCC2=C1)C4=CC(=CC=C4)CF)N)OC

InChI : InChI=1S\/C22H27FN2O2\/c1-26-21-9-16-6-7-25-13-18(15-5-3-4-14(8-15)12-23)19(24)11-20(25)17(16)10-22(21)27-2\/h3-5,8-10,18-20H,6-7,11-13,24H2,1-2H3\/t18-,19+,20+\/m1\/s1

InChIKey : OQMKJZHTWPQABR-AABGKKOBSA-N || OQMKJZHTWPQABR-AABGKKOBSA-P

Other name(s) : SCHEMBL8267432  ||  CHEMBL1229820  ||  SCHEMBL3548814  ||  SCHEMBL8267047  ||  CHEMBL591279  ||  BDBM50309502  ||  (S,S,S)-2g  ||  rac-3-(3-(fluoromethyl)phenyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine  ||  [(2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]azanium


MW : 370.46

Formula : C22H27FN2O2

CAS_number :

PubChem : 46216692,    72200128

UniChem : OQMKJZHTWPQABR-AABGKKOBSA-N,    OQMKJZHTWPQABR-AABGKKOBSA-P

Target

Families : 23Q ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
3KWJ

Protein :
human-DPP4

References (1)

Title : Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors - Boehringer_2010_Bioorg.Med.Chem.Lett_20_1106
Author(s) : Boehringer M , Fischer H , Hennig M , Hunziker D , Huwyler J , Kuhn B , Loeffler BM , Luebbers T , Mattei P , Narquizian R , Sebokova E , Sprecher U , Wessel HP
Ref : Bioorganic & Medicinal Chemistry Lett , 20 :1106 , 2010
Abstract :
PubMedSearch : Boehringer_2010_Bioorg.Med.Chem.Lett_20_1106
PubMedID: 20031408
Gene_locus related to this paper: human-DPP4