For research use only. Not for therapeutic Use.
TP0597850 is a selective inhibitor of MMP2 (IC50=0.22 nM). TP0597850 has a long MMP2 dissociation half-life (t1/2=265 min)[1].
TP0597850 (compound 18) exhibits extremely high chemical stability under a wide range of pH conditions[1].
TP0597850 shows an inhibition constant against MMP2 with a Ki value of 0.034 nM[1].
| Catalog Number | I041991 |
| CAS Number | 2642181-22-2 |
| Synonyms | (2R)-5-[(2S,4S)-4-amino-2-[[(2S)-1-[[(2S)-1-[(5-amino-5-oxopentyl)amino]-4-carboxy-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-[[4-[(4-carbamoylbenzoyl)amino]phenyl]sulfonylamino]-5-oxopentanoic acid |
| Molecular Formula | C41H57N9O13S |
| Purity | ≥95% |
| InChI | InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1 |
| InChIKey | XGGNDAOPHPLHFW-PVNIVXITSA-N |
| SMILES | CC(C)CC(C(=O)N(C)C(CCC(=O)O)C(=O)NCCCCC(=O)N)NC(=O)C1CC(CN1C(=O)CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)N)N |
| Reference | [1]. Takeuchi T, et al. Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold. J Med Chem. 2023 Jan 12;66(1):822-836. |
