Dihydroberberine - ≥98% , CAS No.483-15-8

CAS: 483-15-8 Cat. No.: D651092 Fórmula: C₂₀H₁₉NO₄ Peso molecular: 337.37 Número CE: 683-111-2 PubChem CID: 10217

GRAU & PUREZA ≥98%

Synonyms

BERBINE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)- | Dihydroberberine | Dihydroberberine/dihydroumbellatine | lambertin | 3bti | 9,10-Dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline | Dihydroberbine | FT-0701465 | CHEBI

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Visão geral

Dihydroberberine inhibits human ether-a-go-go-related gene (hERG) channels and remarkably reduces heat shock protein 90 (Hsp90) expression and its interaction with hERG. Dihydroberberine has anti-inflammatory, anti-atherosclerotic, hypolipidemic and antitumor activities

Form:Solid

IC50& Target:HSP90

Especificações

Sinónimos

BERBINE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)- | Dihydroberberine | Dihydroberberine/dihydroumbellatine | lambertin | 3bti | 9,10-Dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline | Dihydroberbine | FT-0701465 | CHEBI

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Dihydroberberine inhibits human ether-a-go-go-related gene (hERG) channels and remarkably reduces heat shock protein 90 (Hsp90) expression and its interaction with hERG. Dihydroberberine has anti-inflammatory, anti-atherosclerotic, hypolipidemic and antit

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC

IUPAC Name

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene

InChIKey

FZAGOOYMTPGPGF-UHFFFAOYSA-N

INCHI

1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3

SMILES isoméricas

COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC

CAS alternativo

120834-89-1,483-15-8

PubChem CID

10217

Número NSC

331264

Termos de entrada MeSH

dihydroberberine;dihydroberberine hydrochloride

Peso molecular

337.37

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: Tetrahydroisoquinolines Benzodioxoles Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Oxacyclic compounds Enamines Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Acetal - Organoheterocyclic compound - Oxacycle - Azacycle - Enamine - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

CEL Tchem Cholesterol esterase (33 Activities)

Discover Target: CEL

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

Alvos associados (não humanos)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Plasmodium falciparum (966862 Activities)

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Toxoplasma gondii (4585 Activities)

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Human betaherpesvirus 5 (5122 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 20 mg/mL (59.28 mM; ultrasonic and warming and heat to 70°C)
• Peso molecular: 337.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 337.131 Da
• Monoisotopic Mass: 337.131 Da
• Topological Polar Surface Area: 40.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 538.000
• 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