Boc-MLF - ≥98% , CAS No.67247-12-5

CAS: 67247-12-5 Cat. No.: B287083 Peso molecular: 509.66

GRADE & PURITY ≥98%

Synonyms

MFCD00037435 | (6S,9S,12S)-12-Benzyl-9-isobutyl-2,2-dimethyl-6-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid | AKOS024457775 | GYBXWOPENJVQKE-UFYCRDLUSA-N | BDBM50027800 | Boc-Met-Leu-Phe-OH | SCHEMBL2507079 | Boc-MLF | L-Phe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Solubility:Soluble to 2 mg/ml in DMSO

Specifications

Sinónimos

MFCD00037435 | (6S, 9S, 12S)-12-Benzyl-9-isobutyl-2, 2-dimethyl-6-(2-(methylthio)ethyl)-4, 7, 10-trioxo-3-oxa-5, 8, 11-triazatridecan-13-oic acid | AKOS024457775 | GYBXWOPENJVQKE-UFYCRDLUSA-N | BDBM50027800 | Boc-Met-Leu-Phe-OH | SCHEMBL2507079 | Boc-MLF | L-Phe

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Antagonist of formyl peptide receptor 1 (FPR1). Reduces superoxide production induced by fMLF with an EC50of 0.63μM. Almost completely blocks fMLF-stimulated primary granule exocytosis.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767694
• Sonrisas canónicas: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC(=O)OC(C)(C)C
• IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
• InChIKey: GYBXWOPENJVQKE-UFYCRDLUSA-N
• INCHI: 1S/C25H39N3O6S/c1-16(2)14-19(22(30)27-20(23(31)32)15-17-10-8-7-9-11-17)26-21(29)18(12-13-35-6)28-24(33)34-25(3,4)5/h7-11,16,18-20H,12-15H2,1-6H3,(H,26,29)(H,27,30)(H,28,33)(H,31,32)/t18-,19-,20-/m0/s1
• Isómeros SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C
• Peso molecular: 509.66
• Reaxy-Rn: 15607064
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15607064&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives Leucine and derivatives Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives N-acyl amines Carbamate esters Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Leucine or derivatives - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acyl - Benzenoid - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble to 2 (mg/mL) in DMSO
• Peso molecular: 509.700 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 509.256 Da
• Monoisotopic Mass: 509.256 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 704.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1