Bendazac L-Lysine - 10mM in Water , CAS No.81919-14-4

CAS: 81919-14-4 Cat. No.: B426119 Molecular Weight: 428.48

GRADE & PURITY 10mM in Water

Synonyms

AS-14245 | Bendazac L-Lysine, AldrichCPR | HY-B2165 | Bendazaco lisina | MFCD07776898 | (2S)-2,6-diaminohexanoic acid; 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetic acid | L-Lysine-(1-benzyl-1H-indazol-3-yloxy)acetic acid | L-Lysine, mono(((1-(phenylmethyl)-1H-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

AS-14245 | Bendazac L-Lysine, AldrichCPR | HY-B2165 | Bendazaco lisina | MFCD07776898 | (2S)-2, 6-diaminohexanoic acid; 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetic acid | L-Lysine-(1-benzyl-1H-indazol-3-yloxy)acetic acid | L-Lysine, mono(((1-(phenylmethyl)-1H-

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O.C(CCN)CC(C(=O)O)N
• IUPAC Name: 2-(1-benzylindazol-3-yl)oxyacetic acid;(2S)-2,6-diaminohexanoic acid
• InChIKey: OCOCFNMFLNFNIA-ZSCHJXSPSA-N
• INCHI: 1S/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
• Isomeric SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O.C(CCN)C[C@@H](C(=O)O)N
• Molecular Weight: 428.48
• Reaxy-Rn: 13876260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13876260&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: Indazoles Medium-chain fatty acids Amino fatty acids Alkyl aryl ethers Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: L-alpha-amino acid - Indazole - Benzopyrazole - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Amino acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic 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: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 180-190° C
• Molecular Weight: 428.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 428.206 Da
• Monoisotopic Mass: 428.206 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 463.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

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