Ala-Ala-Phe-7-amido-4-methylcoumarin
Basic information
- CAS
62037-41-6- Standard SMILES
Cc1cc(=O)oc2cc(NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC(=O)C(C)N)ccc12- InChIKey
FVRLYIFIDKXFHU-UHFFFAOYSA-N- Molecular formula
- C25H28N4O5
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.20597001
Names & identifiers
- Preferred name
- Ala-Ala-Phe-7-amido-4-methylcoumarin
- IUPAC
- 2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide
- English name
- Ala-Ala-Phe-MCA hydrochloride
- Molecular formula
- C25H28N4O5
- Molecular weight
- 464.51
Names & synonyms
62037-41-6Ala-Ala-Phe-7-amido-4-methylcoumarinDTXSID80404325RefChem:317936DTXCID10355179L-Alanyl-L-alanyl-L-phenylalanine 7-amido-4-methylcoumarin2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamideAla-Ala-Phe-AMCMFCD00070149H-Ala-Ala-Phe-MCAAAF-AMCSCHEMBL30839619
Show more names
Ala-Ala-Phe-MCAH-ALA-ALA-PHE-AMCAAF-AMC (free base)H-ALA-ALA-PHE-AMC HCLH-Ala-Ala-Phe-AMC≥ 99% (TLC)H-Ala-Ala-Phe-AMC (free base)Ala-Ala-Phe-MCA hydrochlorideAla-Ala-Phe-7-aMino-4-MethylcouMarinALA-ALA-PHE 7-AMIDO-4-METHYL-COUMARIN
MCA-3201-VAKOS030255641FA492792-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-methyl-2-oxo-chromen-7-yl)-3-phenyl-propanamideDB-054046G85264Ala-Ala-Phe-7-amido-4-methylcoumarin, protease substrateL-Alanyl-L-Alanyl-L-Phenylalanine 4-Methyl-Coumaryl-7-Amide
Database identifiers
- CAS
62037-41-6- PubChem CID
- 4565201
- DTXSID
DTXSID80404325
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 807
Physicochemical properties
- Boiling point
- 831.036 · 831.036±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.539 · 12.539±0.20(predicted)
- color
- Off-White
- InChIKey
- FVRLYIFIDKXFHU-UHFFFAOYSA-N
- SMILES
- CC(N)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)Nc2ccc3C(C)=CC(=O)Oc3c2
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAla-Ala-Phe-7-amido-4-methylcoumarin has been used:in the preparation of the reaction mixture for enzymatic assaysto initiate theenzyme reaction in tripeptidyl peptidase-1 (TPP1) enzyme activity assayto initiate the assay reaction in lysosomal hydrolases activity assay
General DescriptionAla-Ala-Phe-7-amido-4-methylcoumarin is a fluorogenic substrate for the proteolytic activity. It is a positively charged substrate molecule.
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Compound notes
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