Acetylcorynoline - ≥98% , CAS No.18797-80-3

CAS: 18797-80-3 Cat. No.: A412876 Peso molecular: 409.43 Número EC: 683-178-8

GRADE & PURITY ≥98%

Synonyms

CHEBI:188060 | MFCD28385837 | Q-100226 | (+)-Corynoline acetate | DTXSID70172127 | SCHEMBL23246123 | AKOS030632865 | (1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5B,6,7,12B,13,14-HEXAHYDRO-5B,13-DIMETHYL-, ACETATE (ESTER), (5BR,6S,12BR)-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Information

Acetylcorynoline Acetylcorynoline, a major alkaloid component derived from Corydalis bungeana which is a traditional Chinese medical herb, shows anti-inflammatory properties. Acetylcorynoline may decrease egl-1 expression to suppress apoptosis pathways and increase rpn5 expression to enhance the activity of proteasomes .

Targets

egl-1 ; rpn5 ; Proteasome

Specifications

Sinónimos

CHEBI:188060 | MFCD28385837 | Q-100226 | (+)-Corynoline acetate | DTXSID70172127 | SCHEMBL23246123 | AKOS030632865 | (1, 3)BENZODIOXOLO(5, 6-C)-1, 3-DIOXOLO(4, 5-I)PHENANTHRIDIN-6-OL, 5B, 6, 7, 12B, 13, 14-HEXAHYDRO-5B, 13-DIMETHYL-, ACETATE (ESTER), (5BR, 6S, 12BR)-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Acetylcorynoline, a major alkaloid component derived from Corydalis bungeana which is a traditional Chinese medical herb, shows anti-inflammatory properties. Acetylcorynoline may decrease egl-1 expression to suppress apoptosis pathways and increase rpn5 e

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757694
• Sonrisas canónicas: CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
• IUPAC Name: [(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate
• InChIKey: PUHCFWFODBLSAP-WWNPGLIZSA-N
• INCHI: 1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1
• Isómeros SMILES: CC(=O)O[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@]1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
• Peso molecular: 409.43
• Reaxy-Rn: 4164878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4164878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Benzophenanthridine alkaloids
      • Subclass Hexahydrobenzophenanthridine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Benzophenanthridine alkaloids
• Subclass: Hexahydrobenzophenanthridine alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexahydrobenzophenanthridine alkaloids
• Alternative Parents: Phenanthridines and derivatives Tetralins Tetrahydroisoquinolines Benzodioxoles Aralkylamines Carboxylic acid esters Amino acids and derivatives Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexahydrobenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Quinoline - Tetrahydroisoquinoline - Tetralin - Benzodioxole - Aralkylamine - Benzenoid - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organopnictogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hexahydrobenzophenanthridine alkaloids. These are alkaloids containing a hexahydrobenzophenanthridine skeleton, which is a tetracyclic compound containing a benzene fused to a hexahydrophenanthridine moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 40 mg/mL (97.69 mM)
• Sensibilidad: Light sensitive
• Peso molecular: 409.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 409.153 Da
• Monoisotopic Mass: 409.153 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 703.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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