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Mca-YVADAP-Lys(Dnp)-OH | 189696-01-3
| Catelog Number | A18-0044 |
| Category | Fluorescent Enzyme Substrates |
| Molecular Formula | C53H64N10O19 |
| Molecular Weight | 1145.15 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| A18-0044 | -- | $-- |
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Product Introduction
Mca-YVADAP-Lys(Dnp)-OH is a fluorogenic substrate for caspase-1 and angiotensin-converting enzyme 2 (ACE2). It is cleaved by caspase-1 or ACE2 to release the fluorescent moiety 7-methoxycoumarin-4-acetyl (Mca), which can be used to quantify enzyme activity.
Chemical Information |
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| Synonyms | Mca-Tyr-Val-Ala-Asp-Ala-Pro-Lys(Dnp)-OH; Caspase-1 Fluorogenic Substrate V; N-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)-L-lysine; L-Lysine, N-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-tyrosyl-L-valyl-L-alanyl-L-alpha-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)- |
| Purity | ≥95% |
| IUPAC Name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-6-(2,4-dinitroanilino)hexanoic acid |
| Canonical SMILES | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)OC |
| InChI | InChI=1S/C53H64N10O19/c1-27(2)46(60-49(71)38(21-30-11-14-33(64)15-12-30)57-43(65)22-31-23-45(68)82-42-25-34(81-5)16-17-35(31)42)51(73)55-28(3)47(69)59-39(26-44(66)67)48(70)56-29(4)52(74)61-20-8-10-40(61)50(72)58-37(53(75)76)9-6-7-19-54-36-18-13-32(62(77)78)24-41(36)63(79)80/h11-18,23-25,27-29,37-40,46,54,64H,6-10,19-22,26H2,1-5H3,(H,55,73)(H,56,70)(H,57,65)(H,58,72)(H,59,69)(H,60,71)(H,66,67)(H,75,76)/t28-,29-,37-,38-,39-,40-,46-/m0/s1 |
| InChI Key | XLXKHBNLWUCNOC-XUFBPUFYSA-N |
| Solubility | Soluble in DMSO |
| Density | 1.4±0.1 g/cm3 |
| Appearance | Yellow Powder |
| Boiling Point | 1507.2±65.0°C at 760 mmHg |
Product Specification |
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| Storage | Store at -20°C |
Computed Properties | |
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| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 27 |
| Exact Mass | 1144.43491985 g/mol |
| Monoisotopic Mass | 1144.43491985 g/mol |
| Topological Polar Surface Area | 429Ų |
| Heavy Atom Count | 82 |
| Formal Charge | 0 |
| Complexity | 2370 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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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