AAF
General
Type : Pyrrolidine,Benzoate,Urea derivative
Chemical_Nomenclature : methyl 4-[[(2R,5S)-5-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoate
Canonical SMILES : COC(=O)C1=CC=C(C=C1)NC(=O)NCC2CCC(N2)C(=O)N3CCCC3CN
InChI : InChI=1S\/C20H29N5O4\/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21\/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)\/t15-,16+,17+\/m1\/s1
InChIKey : USDCNOQKDUFKRD-IKGGRYGDSA-N
Other name(s) : (C5-pro-pro) inhibitor 24b,CHEMBL1230763,DB07328,Methyl 4-[({[(2R,5S)-5-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate
MW : 403.48
Formula : C20H29N5O4
CAS_number :
PubChem : 11840913
UniChem : USDCNOQKDUFKRD-IKGGRYGDSA-N
IUPHAR :
Wikipedia :
Target
Families : AAF ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2G63 crystal structure of human dipeptidyl peptidase IV (dppIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b
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 |