Boc-MLF - ≥98% , CAS No.67247-12-5

CAS: 67247-12-5 Cat. No.: B287083 Formule: C₂₅H₃₉N₃O₆S Poids moléculaire: 509.66

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

Solubility:Soluble to 2 mg/ml in DMSO

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504767694

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767694

Sourires canoniques

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

Isomères 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

Poids moléculaire

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
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble to 2 (mg/mL) in DMSO
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 67247-12-5, the molecular formula is C25H39N3O6S, and the molecular weight is 509.66 g/mol. InChIKey GYBXWOPENJVQKE-UFYCRDLUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.