meso-2,6-Diaminopimelic acid - Moligand™,≥98% , Agonist of nucleotide binding oligomerization domain containing 1, CAS No.922-54-3, Agonist of nucleotide binding oligomerization domain containing 1

CAS: 922-54-3 Cat. No.: M465023 Molecular Weight: 190.20 Beilstein Registry Number: 1726899

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS006328542 | C00680 | Heptanedioic acid, 2,6-diamino-, meso- (8CI) | meso-2,6-diaminoheptanedioate | meso-1-alpha,epsilon-diaminopimelate | meso-2,6-Diaminopimelate | NSC-206289 | Q209275 | .ALPHA.,.EPSILON.-DIAMINOPIMELIC ACID | meso-2,6-Diaminopimeli

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Description

Meso-2,6-diaminopimelic acid may be used to study peptidoglycan structure and function within the cell walls of bacteria.

Specifications

Synonyms

AKOS006328542 | C00680 | Heptanedioic acid, 2, 6-diamino-, meso- (8CI) | meso-2, 6-diaminoheptanedioate | meso-1-alpha, epsilon-diaminopimelate | meso-2, 6-Diaminopimelate | NSC-206289 | Q209275 | .ALPHA., .EPSILON.-DIAMINOPIMELIC ACID | meso-2, 6-Diaminopimeli

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Penultimate biosynthetic precursor of the essential amino acid L-lysine. Component of peptidoglycan in the cell wall of many bacteria.

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of nucleotide binding oligomerization domain containing 1

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(CC(C(=O)O)N)CC(C(=O)O)N
• IUPAC Name: (2S,6R)-2,6-diaminoheptanedioic acid
• InChIKey: GMKMEZVLHJARHF-SYDPRGILSA-N
• INCHI: 1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
• Isomeric SMILES: C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N
• Molecular Weight: 190.20
• Beilstein: 1726899
• Reaxy-Rn: 1787719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1787719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: D-alpha-amino acids Medium-chain fatty acids Amino fatty acids Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: D-alpha-amino acid - L-alpha-amino acid - Medium-chain fatty acid - Amino fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: 2,6-diaminopimelic acid

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

Associated Targets(Human)

NOD1 Tchem Nucleotide-binding oligomerization domain-containing protein 1 (0 Activities)

Discover Target: NOD1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 190.200 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 190.095 Da
• Monoisotopic Mass: 190.095 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 175.000
• 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: 1