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Inhibitor Report for: ABT-279

alkynyl cyanopyrrolidine


General
Type Pyrrolidine, Cyanide
Chemical_Nomenclature 2-[4-[[2-[(2S,5R)-2-[amino(hydroxy)methyl]-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid
Canonical SMILES CC1(CCN(CC1)C2=NC=CC(=C2)C(=O)O)NCC(=O)N3C(CCC3C(N)O)C#C
InChI InChI=1S/C21H29N5O4/c1-3-15-4-5-16(19(22)28)26(15)18(27)13-24-21(2)7-10-25(11-8-21)17-12-14(20(29)30)6-9-23-17/h1,6,9,12,15-16,19,24,28H,4-5,7-8,10-11,13,22H2,2H3,(H,29,30)/t15-,16-,19?/m0/s1
InChIKey XIDTWITXVPICLF-NRAVZPKASA-N
Other name(s) AXD ; 2-[4-({2-[(2s,5r)-2-(Aminomethyl)-5-Ethynylpyrrolidin-1-Yl]-2-Oxoethyl}amino)-4-Methylpiperidin-1-Yl]isonicotinic Acid
________________________________________________________________________________________________
MW|415.49
Formula|C21H29N5O4
CAS_number|
PubChem|11987862
UniChem|XIDTWITXVPICLF-NRAVZPKASA-N
IUPHAR|
Wikipedia|

Target
Families | ABT-279 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 2I03: Crystal structure of human dipeptidyl peptidase 4 (DPP-IV) with potent alkynyl cyanopyrrolidine (ABT-279)
Protein | human-DPP4

References:
Search PubMed for references concerning: ABT-279
    Title: Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes
    Madar DJ, Kopecka H, Pireh D, Yong H, Pei Z, Li X, Wiedeman PE, Djuric SW, von Geldern TW and Trevillyan JM <21 more author(s)>
    Ref: Journal of Medicinal Chemistry, 49:6416, 2006 : PubMed