ADF
General
Type : Pyrrolidine
Chemical_Nomenclature : 4-[(5-{[2-(Aminomethyl)-1-pyrrolidinyl]carbonyl}-2-pyrrolidinyl)methoxy]-3-(2-methyl-2-propanyl)benzoic acid
Canonical SMILES : CC(C)(C)C1=C(C=CC(=C1)C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3CN
InChI : InChI=1S\/C22H33N3O4\/c1-22(2,3)17-11-14(21(27)28)6-9-19(17)29-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23\/h6,9,11,15-16,18,24H,4-5,7-8,10,12-13,23H2,1-3H3,(H,27,28)
InChIKey : HSZIDSCIKNQFGX-UHFFFAOYSA-N
Other name(s) : (C5-pro-pro) inhibitor 21ac,4-{[(2r,5s)-5-{[(2s)-2-(Aminomethyl)pyrrolidin-1- Yl]carbonyl}pyrrolidin-2-Yl]methoxy}-3-Tert- Butylbenzoic acid
MW : 403.52
Formula : C22H33N3O4
CAS_number :
PubChem : 73122500
UniChem : HSZIDSCIKNQFGX-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ADF ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2G5P crystal structure of human dipeptidyl peptidase IV (dppIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac
Protein : human-DPP4
References (1)
| Title : Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors - Pei_2006_J.Med.Chem_49_3520 |
| Author(s) : Pei Z , Li X , Longenecker K , von Geldern TW , Wiedeman PE , Lubben TH , Zinker BA , Stewart K , Ballaron SJ , Stashko MA , Mika AK , Beno DW , Long M , Wells H , Kempf-Grote AJ , Madar DJ , McDermott TS , Bhagavatula L , Fickes MG , Pireh D , Solomon LR , Lake MR , Edalji R , Fry EH , Sham HL , Trevillyan JM |
| Ref : Journal of Medicinal Chemistry , 49 :3520 , 2006 |
| Abstract : Pei_2006_J.Med.Chem_49_3520 |
| ESTHER : Pei_2006_J.Med.Chem_49_3520 |
| PubMedSearch : Pei_2006_J.Med.Chem_49_3520 |
| PubMedID: 16759095 |
| Gene_locus related to this paper: human-DPP4 |