Name: Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2
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HIT ID:HIT212742619
Cas No:1926163-82-7
常用名:Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2
别名:Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2
IUPAC:(2S)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-[(2,4-dinitrophenyl)amino]ethyl]carbamoyl}butyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}ethyl]carbamoyl}ethyl]-2-{[(2S)-1-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]pyrrolidin-2-yl]formamido}-4-methylpentanamide
IUPAC:(2S)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-[(2,4-dinitrophenyl)amino]ethyl]carbamoyl}butyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}ethyl]carbamoyl}ethyl]-2-{[(2S)-1-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]pyrrolidin-2-yl]formamido}-4-methylpentanamide
InChI key:IJPWNCZOCVJSBA-GPTKDIKKSA-N

分子式:C66H82N16O17S
分子量:1403.54
氢键供体数 (HBD):13
氢键受体数 (HBA):20
LogP:1.0182612
SMILES:COc1ccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)Cc2cc(=O)oc3cc(OC)ccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1
SMILES:COc1ccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)Cc2cc(=O)oc3cc(OC)ccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1

Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2 is a fluorogenic substrate for matrix metalloproteinase-14 (MMP-14). Upon cleavage by MMP-14, 7-methoxycoumarin-4-acetyl (Mca) is released and its fluorescence can be used to quantify MMP activity. Mca displays excitation/emission maxima of 328/420 nm, respectively.

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