Leu-Leu methyl ester hydrobromide - Moligand™,≥97% , CAS No.16689-14-8

CAS: 16689-14-8 Cat. No.: L464355 분자식: C₁₃H₂₇BrN₂O₃ 분자량: 339.27

등급 & 순도 Moligand™, ≥97%

Synonyms

H-Leu-Leu-OMe hydrobromide | MS-25162 | Methyl leucylleucinate hydrobromide | Leu-Leu-ome HBr | l-leucyl-l-leucine methyl ester hydrobromide | METHYL (2S)-2-[(2S)-2-AMINO-4-METHYLPENTANAMIDO]-4-METHYLPENTANOATE HYDROBROMIDE | HY-129905A | UNII-48TF27RT8L

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

H-Leu-Leu-OMe hydrobromide | MS-25162 | Methyl leucylleucinate hydrobromide | Leu-Leu-ome HBr | l-leucyl-l-leucine methyl ester hydrobromide | METHYL (2S)-2-[(2S)-2-AMINO-4-METHYLPENTANAMIDO]-4-METHYLPENTANOATE HYDROBROMIDE | HY-129905A | UNII-48TF27RT8L

사양 및 순도

Moligand™, ≥97%

생화학 및 생리적 메커니즘

Peptide toxic to natural killer T cells.Leu-Leu methyl ester (LLME, Leu-Leu-OMe) may be used to induce protease-dependent cell death (apoptosis) in immune cells such as mast cells, phagocytes, monocytes/macrophages and natural killer cells.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥97%

이름과 식별자

Pubchem Sid

528769872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769872

정식 스마일

CC(C)CC(C(=O)NC(CC(C)C)C(=O)OC)N.Br

IUPAC Name

methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrobromide

InChIKey

QIPBCIHWFATZOF-ACMTZBLWSA-N

INCHI

1S/C13H26N2O3.BrH/c1-8(2)6-10(14)12(16)15-11(7-9(3)4)13(17)18-5;/h8-11H,6-7,14H2,1-5H3,(H,15,16);1H/t10-,11-;/m0./s1

이성체 SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)N.Br

분자량

339.27

Reaxy-Rn

34595454

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34595454&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Fatty acid esters N-acyl amines Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Hydrobromides Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha peptide - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acid ester - Fatty amide - N-acyl-amine - Fatty acyl - Methyl ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organopnictogen compound - Hydrobromide - Primary amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 339.270 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 338.121 Da
• Monoisotopic Mass: 338.121 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3