105116-61-8
Chemical Structure
CP-69799
- CAS No.: 105116-61-8
- Formula:C49H73N9O9
- Molecular Weight:932.16
IUPAC Name: ((3-(2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)-3-(1H-imidazol-5-yl)propanamido)-4-cyclohexyl-2-hydroxybutyl)(isopropyl)carbamoyl)lysylphenylalanine
InChIKey: OOUZDVMXNXDTPU-UJKKYYSESA-N
SMILES: O=C(O)[C@H](CC1=CC=CC=C1)NC([C@H](CCCCN)NC(N(C[C@H](O)[C@@H](NC([C@H](CC2=CNC=N2)NC([C@H](CC3=CC=CC=C3)NC(OC(C)(C)C)=O)=O)=O)CC4CCCCC4)C(C)C)=O)=O
Biological Activity: CP-69799 is an azahomostatine-containing oligopeptide transition-state analogue inhibitor with a hog renin IC50 of 6e-9 M, human plasma renin IC50 of 3e-7 M and Ki of 0.310 μM, and endothiapepsin Ki of 0.27 μM. CP-69799 binds endothiapepsin’s active site cleft in extended conformation, fills S4 to S3' pockets, displaces native solvent molecules, induces domain rotation, and reduces thermal mobility of endothiapepsin’s flap and helix regions. CP-69799 acts as a transition-state analogue inhibitor of hog renin and human plasma renin. CP-69799 contains a polar lysine residue at the P2' position, with a nitrogen atom replacing the P1' Cα atom of the hydroxyethylene dipeptide isostere. CP-69799 can be used for the research of hypertension[1].
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CP-69799 | CP-69799 is an azahomostatine-containing oligopeptide transition-state analogue inhibitor with a hog renin IC50 of 6e-9 M, human plasma renin IC50 of 3e-7 M and Ki of 0.310 μM, and endothiapepsin Ki of 0.27 μM. CP-69799 binds endothiapepsin’s active site cleft in extended conformation, fills S4 to S3' pockets, displaces native solvent molecules, induces domain rotation, and reduces thermal mobility of endothiapepsin’s flap and helix regions. CP-69799 acts as a transition-state analogue inhibitor of hog renin and human plasma renin. CP-69799 contains a polar lysine residue at the P2' position, with a nitrogen atom replacing the P1' Cα atom of the hydroxyethylene dipeptide isostere. CP-69799 can be used for the research of hypertension. | |||||||||||||||||||||
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Keywords
