(S)-2-Amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)valeramide

Base Information

• Chemical Name: (S)-2-Amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)valeramide
• CAS No.: 66447-31-2
• Molecular Formula: C16H20 N2 O3
• Molecular Weight: 288.346
• European Community (EC) Number: 266-363-4
• DSSTox Substance ID: DTXSID90216678
• Nikkaji Number: J286.789C
• Wikidata: Q83092954
• Mol file: 66447-31-2.mol

Synonyms:7-Leu-MC;7-leucylamido-4-methylcoumarin

Chemical Property of (S)-2-Amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)valeramide

Chemical Property:

• Vapor Pressure: 3.03E-10mmHg at 25°C
• Boiling Point: 503°Cat760mmHg
• PKA: 13.02±0.20(Predicted)
• Flash Point: 258°C
• PSA: 85.33000
• Density: 1.208g/cm³
• LogP: 3.18660
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 288.14739250
• Heavy Atom Count: 21
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

L-Leucine 7-Amido-4-methylcoumarin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(C)C)N
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(C)C)N
• Uses: Sensitive fluorogenic substrate for leucine aminopeptidase and aminopeptidase M. A sensitive fluorogenic substrate for leucine aminopeptidase and aminopeptidase M

Technology Process of (S)-2-Amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)valeramide

There total 1 articles about (S)-2-Amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)valeramide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ L-Leu-AMC (66447-31-2)

Guidance literature:

aus /BRN= 142231/, 1)/BRN= 253861/, 2)H2 (kat.);

DOI:10.1248/cpb.25.362

Reference yield: 72.0%

L-Leu-AMC (66447-31-2) + N-formyl-L-methionine (4289-98-9) → C22H29N3O5S (1429788-64-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja401792d

Reference yield:

L-Leu-AMC (66447-31-2) → 7-amino-4-methylcoumarin. (26093-31-2) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1)

Guidance literature:

With Toxoplasma gondii M₁₇ leucine aminopeptidase apoenzyme; water; at 37 ℃; Kinetics;

DOI:10.1016/j.molbiopara.2009.11.005

Downstream raw materials:

L-leucine

7-amino-4-methylcoumarin.

C₂₂H₂₉N₃O₅S

Refernces