L-Kynurenine sulfate salt - ≥98% , CAS No.16055-80-4

CAS: 16055-80-4 Cat. No.: S167670 Molecular Weight: 306.29

GRADE & PURITY ≥98%

Synonyms

(S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid,sulfuric acid | AKOS015911368 | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;sulfuric acid | HY-104026B | L-KYNURENINESULFATE | MLS002207218 | 6-hydroxy-5-(2-phenyldiazenyl)-2-Naphthalenesulfonic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, sulfuric acid | AKOS015911368 | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;sulfuric acid | HY-104026B | L-KYNURENINESULFATE | MLS002207218 | 6-hydroxy-5-(2-phenyldiazenyl)-2-Naphthalenesulfonic acid

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

L-canurine is a key intermediate in the decomposition of L-tryptophan and formation of nicotinamide adenine dinucleotide (NAD +) through the canurine pathway. L-canurine is involved in a variety of neurological processes and diseases. L-canuridine is the

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757502
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N.OS(=O)(=O)O
• IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;sulfuric acid
• InChIKey: KAXRWMOLNJZCEW-QRPNPIFTSA-N
• INCHI: 1S/C10H12N2O3.H2O4S/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;1-5(2,3)4/h1-4,8H,5,11-12H2,(H,14,15);(H2,1,2,3,4)/t8-;/m0./s1
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N.OS(=O)(=O)O
• Molecular Weight: 306.29
• Reaxy-Rn: 6121983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6121983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones L-alpha-amino acids Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Organic sulfuric acids Beta-amino ketones Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Benzoyl - Gamma-keto acid - Aniline or substituted anilines - Aryl alkyl ketone - Sulfuric acid - Benzenoid - Monocyclic benzene moiety - Beta-aminoketone - Keto acid - Vinylogous amide - Organic sulfuric acid or derivatives - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Primary aliphatic amine - Primary amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hippocampus (57 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 306.290 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 306.052 Da
• Monoisotopic Mass: 306.052 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 336.000
• 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

XLogP3