Demethyleneberberine - ≥98% , CAS No.25459-91-0

CAS: 25459-91-0 Cat. No.: D412894 Formula: C₁₉H₁₈NO₄+ Peso molecolare: 324.35

QUALITÀ & PUREZZA ≥98%

Synonyms

Dehydrostepholidine chloride | HY-N0592 | BDBM50300549 | AKOS037514619 | s3299 | AC-34618 | 9,10-Dimethoxy-5,6-dihydro-7lambda~5~-isoquino[3,2-a]isoquinoline-2,3-diol hydrochloride | 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Demethyleneberberine (DMB), a component of Cortex Phellodendri Chinensis (CPC), significantly alleviates the weight loss and diminishesmyeloperoxidase (MPO)activity, while significantly reduces the production of pro-inflammatory cytokines, such asinterleukin (IL)-6andtumor necrosis factor-α (TNF-α), and inhibits the activation ofNF-κBsignaling pathway. Demethyleneberberine (DMB) potentially ameliorates NAFLD (Non-alcoholic fatty liver disease) by activating

Targets

NF-κB ; MPO ; IL-6 ; TNF-α ; IL-1β 33791,

Specifiche

Sinonimi

Dehydrostepholidine chloride | HY-N0592 | BDBM50300549 | AKOS037514619 | s3299 | AC-34618 | 9,10-Dimethoxy-5,6-dihydro-7lambda~5~-isoquino[3,2-a]isoquinoline-2,3-diol hydrochloride | 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Demethyleneberberine (DMB), a component of Cortex Phellodendri Chinensis (CPC), significantly alleviates the weight loss and diminishes myeloperoxidase (MPO) activity, while significantly reduces the production of pro-inflammatory cytokines, such as inter

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ACTIVATOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504758591

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758591

Sorrisi canonici

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC

IUPAC Name

9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol

InChIKey

HVTCKKMWZDDWOY-UHFFFAOYSA-O

INCHI

1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1

Isomeri SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC

Peso molecolare

324.35

Reaxy-Rn

1554250

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1554250&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Protoberberine alkaloids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Protoberberine alkaloids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Protoberberine alkaloids and derivatives
• Alternative Parents: Isoquinolines and derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Isoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 3 mg/mL (9.24 mM)
• Sensibilità: Light sensitive
• Peso molecolare: 324.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 324.124 Da
• Monoisotopic Mass: 324.124 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 1
• Complexity: 447.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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