Hypaphorine - ≥98% , CAS No.487-58-1

CAS: 487-58-1 Cat. No.: H412621 Summenformel: C₁₄H₁₈N₂O₂ Molekulargewicht: 246.31 EG-Nummer: 803-882-2

GRADE & PURITY ≥98%

Synonyms

Hypaphorine|Lenticin|L-Hypaphorine|487-58-1|Glyyunnanenine|Tryptophan betaine|(+)-Hypaphorine|Lenticine|C14H18N2O2|CHEBI:5832|(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate|GJ3358U63L|(S)-3-(1H-Indol-3-yl)-2-(trimethylammonio)propanoate|Hypaforin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Hypaphorine | Lenticin | L-Hypaphorine | 487-58-1 | Glyyunnanenine | Tryptophan betaine | (+)-Hypaphorine | Lenticine | C14H18N2O2 | CHEBI:5832 | (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate | GJ3358U63L | (S)-3-(1H-Indol-3-yl)-2-(trimethylammonio)propanoate | Hypaforin

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Hypaphorine which is abundantly found in vaccaria semen, counteracts inflammation via inhibition of ERK or/and NFκB signaling pathways.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528770166
• Kanonisches Lächeln: C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-]
• IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
• InChIKey: AOHCBEAZXHZMOR-ZDUSSCGKSA-N
• INCHI: 1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1
• Isomere SMILES: C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-]
• Molekulargewicht: 246.31
• Reaxy-Rn: 4147790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4147790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acids
              • Ebene8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: 3-alkylindoles Aralkylamines Substituted pyrroles Benzenoids Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - L-alpha-amino acid - Indole - Indole or derivatives - Aralkylamine - Substituted pyrrole - Benzenoid - Tetraalkylammonium salt - Pyrrole - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound
• Beschreibung: 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: tryptamines

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro Water: 16 mg/mL (64.96 mM); DMSO: Insoluble; Ethanol: Insoluble
• Empfindlichkeit: Moisture sensitive；Light sensitive
• Molekulargewicht: 246.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.137 Da
• Monoisotopic Mass: 246.137 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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: 1