CHEMBL2058971
General
Type : Trifluoro,Pyrrolidine,Quinoline,Thiazolidine,Sulfur Compound
Chemical_Nomenclature : 1,3-thiazolidin-3-yl-[(2S,4S)-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]pyrrolidin-2-yl]methanone
Canonical SMILES : C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C(F)(F)F
InChI : InChI=1S\/C22H26F3N5OS\/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30\/h1-4,12,15,18,26H,5-11,13-14H2\/t15-,18-\/m0\/s1
InChIKey : JWKZKADFQDTDIU-YJBOKZPZSA-N
Other name(s) : CHEMBL2058971,BDBM50388112,[4alpha-[4-[2-(Trifluoromethyl)-4-quinolinyl]piperazino]pyrrolidine-2alpha-yl](thiazolidine-3-yl) ketone,1,3-Thiazolidin-3-Yl[(2s,4s)-4-{4-[2-(Trifluoromethyl)quinolin-4-Yl]piperazin-1-Yl}pyrrolidin-2-Yl]methanone,W61
MW : 465.53
Formula : C22H26F3N5OS
CAS_number :
PubChem : 57525787
UniChem : JWKZKADFQDTDIU-YJBOKZPZSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL2058971 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 3VJM Crystal structure of human dipeptidyl peptidase IV (DPP-4) in complex witha prolylthiazolidine inhibitor 1
Protein : human-DPP4
References (3)
| Title : Fused bicyclic heteroarylpiperazine-substituted L-prolylthiazolidines as highly potent DPP-4 inhibitors lacking the electrophilic nitrile group - Yoshida_2012_Bioorg.Med.Chem_20_5033 |
| Author(s) : Yoshida T , Akahoshi F , Sakashita H , Sonda S , Takeuchi M , Tanaka Y , Nabeno M , Kishida H , Miyaguchi I , Hayashi Y |
| Ref : Bioorganic & Medicinal Chemistry , 20 :5033 , 2012 |
| Abstract : Yoshida_2012_Bioorg.Med.Chem_20_5033 |
| ESTHER : Yoshida_2012_Bioorg.Med.Chem_20_5033 |
| PubMedSearch : Yoshida_2012_Bioorg.Med.Chem_20_5033 |
| PubMedID: 22824762 |
| Gene_locus related to this paper: human-DPP4 |
| Title : [(S)-gamma-(4-Aryl-1-piperazinyl)-l-prolyl]thiazolidines as a novel series of highly potent and long-lasting DPP-IV inhibitors - Yoshida_2007_Bioorg.Med.Chem.Lett_17_2618 |
| Author(s) : Yoshida T , Sakashita H , Akahoshi F , Hayashi Y |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :2618 , 2007 |
| Abstract : Yoshida_2007_Bioorg.Med.Chem.Lett_17_2618 |
| ESTHER : Yoshida_2007_Bioorg.Med.Chem.Lett_17_2618 |
| PubMedSearch : Yoshida_2007_Bioorg.Med.Chem.Lett_17_2618 |
| PubMedID: 17317162 |
| Gene_locus related to this paper: human-DPP4 |
| Title : [(S)-gamma-(Arylamino)prolyl]thiazolidine compounds as a novel series of potent and stable DPP-IV inhibitors - Sakashita_2006_Bioorg.Med.Chem_14_3662 |
| Author(s) : Sakashita H , Akahoshi F , Kitajima H , Tsutsumiuchi R , Hayashi Y |
| Ref : Bioorganic & Medicinal Chemistry , 14 :3662 , 2006 |
| Abstract : Sakashita_2006_Bioorg.Med.Chem_14_3662 |
| ESTHER : Sakashita_2006_Bioorg.Med.Chem_14_3662 |
| PubMedSearch : Sakashita_2006_Bioorg.Med.Chem_14_3662 |
| PubMedID: 16460948 |
| Gene_locus related to this paper: human-DPP4 |