(S)-2-amino-6-(trimethylammonio)hexanoic acid

Base Information

• Chemical Name: (S)-2-amino-6-(trimethylammonio)hexanoic acid
• CAS No.: 19253-88-4
• Molecular Formula: C₉H₂₁N₂O₂
• Molecular Weight: 189.278
• Metabolomics Workbench ID: 122977
• Mol file: 19253-88-4.mol

Synonyms:6-N-L-trimethyl-L-lysine;epsilon-N-trimethyl-L-lysine;epsilon-N-trimethyl-lysine;N(6),N(6),N(6)-trimethyl-L-lysine;TRIMETHYLLLYSINE;trimethyllysine;trimethyllysine chloride, (S)-isomer;trimethyllysine hydroxide, inner salt, (S)-isomer;trimethyllysine hydroxide,inner salt, (+-)-isomer;trimethyllysine, (+-)-isomer

Chemical Property of (S)-2-amino-6-(trimethylammonio)hexanoic acid

Chemical Property:

• Melting Point: 247 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 66.15000
• Density: g/cm³
• LogP: -0.35960
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 189.160302917
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCCCC(C(=O)[O-])[NH3+]
• Isomeric SMILES: C[N+](C)(C)CCCC[C@@H](C(=O)[O-])[NH3+]

Refernces

Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase

10.1021/acs.jmedchem.6b01473

The study presents a structure-guided design of small molecule inhibitors targeting the Polycomb Repressive Complex 2 (PRC2), a methyltransferase involved in epigenetic regulation of embryonic development and cell growth. The researchers focused on inhibiting the enzymatic activity of PRC2 by developing compounds that allosterically bind to the non-catalytic EED subunit's trimethyllysine pocket, distinct from traditional EZH2 inhibitors. The chemicals used in the study included a series of designed molecules, such as compound 1 and its simplified fragment-sized molecule derivative, compound 2, which were optimized for binding affinity and biological activity. These molecules serve to inhibit PRC2 activity, potentially leading to anti-tumor effects, and provide a new mechanism of PRC2 inhibition for studying epigenetic regulation and cancer therapy.

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