Mca-DEVDAP-K(Dnp)-OH
Basic information
- CAS
189696-20-6- Standard SMILES
COc1ccc2c(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1- InChIKey
YOUVSUDOGAVRQX-AEAFXXELSA-N- Molecular formula
- C50H62N10O22
- Average molar mass
- 1,155.1 g/mol
- Monoisotopic mass
- 1,154.40401364
Names & identifiers
- Preferred name
- Mca-DEVDAP-K(Dnp)-OH
- IUPAC
- (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-6-(2,4-dinitroanilino)hexanoic acid
- English name
- MCA-Asp-Glu-Val-Asp-Ala-Pro-Lys(Dnp)-OH
- Molecular formula
- C50H62N10O22
- Molecular weight
- 1155.08
Names & synonyms
189696-20-6Mca-DEVDAP-K(Dnp)-OHMCA-ASP-GLU-VAL-ASP-ALA-PRO-LYS(DNP)-OHCPP32 Fluorogenic Substrate III7-Methoxycoumarin-4-acetyl-Asp-Glu-Val-Asp-Ala-Pro-(2,4-dinitrophenyl)Lys(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-6-(2,4-dinitroanilino)hexanoic acidMca-DEVDAPK(Dnp)-OHorb1693234DTXSID30745558HY-P2614AKOS040755582DA-65284
Show more names
MCA-DEVDAPK (DNP)CASPASE-3 SUBSTRATE (MCA)CASPASE-3 SUBSTRATE III, FLUOROGENICMCA-ASP-GLU-VAL-ASP-ALA-PRO-LYS(DNP)MCA-Asp-Glu-Val-Asp-Ala-Pro-Lys(Dnp)-COOH7-methoxycoumarin-4-acetyl-asp-glu-*val-asp-ala-P
CS-0136585T37024L-Lysine, N-[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-L-alpha-aspartyl-L-alanyl-L-prolyl-N6-(2,4-dinitrophenyl)- (9CI)N-[(7-Methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-L-alpha-aspartyl-L-alanyl-L-prolyl-N~6~-(2,4-dinitrophenyl)-L-lysine
Database identifiers
- CAS
189696-20-6- PubChem CID
- 71308540
- DTXSID
DTXSID30745558
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 483 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 30
- Heavy atoms
- 82
- Formal charge
- 0
- Complexity
- 2,450
Physicochemical properties
- Boiling point
- 1561.2 · 1561.2±65.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 1 mg/ml · Formic Acid: 1 mg/ml
- form
- Lyophilized powder
- pka
- 3.67 · 3.67±0.21(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
DescriptionMca-DEVDAPK(Dnp)-OH is a fluorogenic substrate for caspase-3. It is cleaved by caspase-3 to release the fluorescent moiety 7-methoxycoumarin-4-acetyl (Mca), which can be used to quantify caspase-3 activity.
UsesMca-DEVDAP-K(Dnp)-OH is a fluorogenic substrate for caspase-3[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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