For research use only. Not for therapeutic Use.
Argadin is a cyclopentapeptide chitinase inhibitor. Argadin inhibits chitinase B (ChiB) with a Ki value of 20 nM. Argadin can be used for the research of fungicid and insecticid[1][2].
Argadin has inhibitory activity for chitinase B (ChiB) with a Ki value of 20 nM[2].
| Catalog Number | I042544 |
| CAS Number | 289665-92-5 |
| Synonyms | 4-[(1R,4R,10S,13S,16S,18R)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid |
| Molecular Formula | C29H42N10O9 |
| Purity | ≥95% |
| InChI | InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19+,20+,21-,22+/m0/s1 |
| InChIKey | FOZYKTUSOWWQGR-QANWUKQVSA-N |
| SMILES | CC(=O)NC(=NCCCC1C(=O)N2CCCC2C(=O)NC3CC(N(C3=O)C(C(=O)NC(C(=O)N1)CCCC(=O)O)CC4=CN=CN4)O)N |
| Reference | [1]. Jun Koseki, et al. Molecular Orbital Study of the Formation of Intramolecular Hydrogen Bonding of a Ligand Molecule in a Protein Aromatic Hydrophobic Pocket. Chem Pharm Bull (Tokyo). 2016;64(7):1031-5. [2]. Hiroaki Gouda, et al. Computational analysis of the binding affinities of the natural-product cyclopentapeptides argifin and argadin to chitinase B from Serratia marcescens. Bioorg Med Chem. 2008 Apr 1;16(7):3565-79. |
