MMP-7-IN-2

• CAT Number: I041149
• CAS Number: 2848717-49-5
• Molecular Formula: C28H40ClF3N6O9S
• Molecular Weight: 729.17
• Purity: ≥95%
• Synonyms: (2S)-5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxopentanoic acid
• InChI: InChI=1S/C28H40ClF3N6O9S/c1-13(2)10-20(25(42)37-23(14(3)4)26(43)35-15(5)24(33)41)36-22(40)12-34-21(39)9-8-19(27(44)45)38-48(46,47)16-6-7-18(29)17(11-16)28(30,31)32/h6-7,11,13-15,19-20,23,38H,8-10,12H2,1-5H3,(H2,33,41)(H,34,39)(H,35,43)(H,36,40)(H,37,42)(H,44,45)/t15-,19-,20-,23-/m0/s1
• InChIKey: XHPNKAPWXFVQKQ-AEEVCGNZSA-N
• SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N)NC(=O)CNC(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F

MMP-7-IN-2 (compound 16) is a selective inhibitor of MMP7 with an IC50 value of 16 nM[1].

Reference

[1]. Hideaki Tabuse, et al. Discovery of Highly Potent and Selective Matrix Metalloproteinase-7 Inhibitors by Hybridizing the S1′ Subsite Binder with Short Peptides. J Med Chem. 2022 Oct 13;65(19):13253-13263.
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