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Mca-P-Cha-G-Nva-HA-Dap(DNP)-NH2 | 256394-94-2
| Catalog Number | A18-0033 |
| Category | Fluorescent Enzyme Substrates |
| Molecular Formula | C51H65N13O15 |
| Molecular Weight | 1100.1 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| A18-0033 | -- | $-- |
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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 |
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|---|---|
| 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 |
Applications of Fluorescent Probes & Dyes
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