Mca-P-Cha-G-Nva-HA-Dap(DNP)-NH2

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Mca-P-Cha-G-Nva-HA-Dap(DNP)-NH2

Mca-P-Cha-G-Nva-HA-Dap(DNP)-NH2 | 256394-94-2

Catelog Number A18-0033
Category Fluorescent Enzyme Substrates
Molecular Formula C51H65N13O15
Molecular Weight 1100.1
Catalog Number Size Price Quantity
A18-0033 -- $--

Product Introduction

Mca-P-Cha-G-Nva-HA-Dap(DNP)-NH2 is a fluorogenic substrate for matrix metalloproteinase-1 (MMP-1), MMP-3, and MMP-26. 7-methoxycoumarin-4-acetyl (Mca) is released by cleavage of Mca-P-Cha-G-Nva-HA-Dap(DNP)-NH2, of which the fluorescence can be used to quantify MMP-1, MMP-3 and MMP-26 activity.

Chemical Information

Synonyms 1-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-3-cyclohexyl-L-alanylglycyl-L-norvalyl-L-histidyl-L-alanyl-3-[(2,4-dinitrophenyl)amino]-L-alaninamide
Purity ≥95%
IUPAC Name (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(2,4-dinitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxamide
Canonical SMILES CCCC(C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)NC(CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)CNC(=O)C(CC3CCCCC3)NC(=O)C4CCCN4C(=O)CC5=CC(=O)OC6=C5C=CC(=C6)OC
InChI InChI=1S/C51H65N13O15/c1-4-9-36(49(71)59-38(21-31-24-53-27-56-31)50(72)57-28(2)47(69)61-39(46(52)68)25-54-35-16-13-32(63(74)75)22-41(35)64(76)77)58-43(65)26-55-48(70)37(18-29-10-6-5-7-11-29)60-51(73)40-12-8-17-62(40)44(66)19-30-20-45(67)79-42-23-33(78-3)14-15-34(30)42/h13-16,20,22-24,27-29,36-40,54H,4-12,17-19,21,25-26H2,1-3H3,(H2,52,68)(H,53,56)(H,55,70)(H,57,72)(H,58,65)(H,59,71)(H,60,73)(H,61,69)/t28-,36-,37-,38-,39-,40-/m0/s1
InChI Key BJLIZNHHZSHQOS-NIUAFRCISA-N

Product Specification

Storage Store at -20°C

Computed Properties

XLogP3 3.3
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 25
Exact Mass 1099.47230842 g/mol
Monoisotopic Mass 1099.47230842 g/mol
Topological Polar Surface Area 406Ų
Heavy Atom Count 79
Formal Charge 0
Complexity 2260
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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