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

CAS: 16689-14-8 Cat. No.: L464355 Formula: C₁₃H₂₇BrN₂O₃ Peso molecolare: 339.27

GRADE & PURITY 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

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™,≥97%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528769872
• Sorrisi canonici: 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
• Isomeri SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)N.Br
• Peso molecolare: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 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

Riferimenti

1. Jun Peng, Yue Zhang, Wenhui Huang, Wei Wang, Wenyi Zeng, Wenhan Li, Linjie Xiao, Ying Meng.  (2026)  Targeting fPRDM16 to Restore Collagen Phagocytosis: A Mechanism to Counteract the Persistent Fibrosis in Aging Lungs.  Current Molecular Pharmacology,      [PMID:] [10.1016/j.cmp.2026.02.002]

2. Jiaqing Yin, Wei Lv, Wei Zhao, Zhenwei Ding, Fei Zhu, Hongli Liu, Shengnan Li, Xiang Cao, Linfeng Liu, Kefan Song, Yue Gong, Jiangna Xu, Yuqin Chen, Zhiyuan Zhang, Xiangming Fang, Hongliang Xin.  (2026)  Lysosomal membrane damage repair and acidification impairment restoration triggered by smart lipid nanoparticles for Alzheimer’s disease treatment.  Acta Pharmaceutica Sinica B,      [PMID:] [10.1016/j.apsb.2026.06.036]