(-)-Roemerine - Moligand™,≥98% , CAS No.548-08-3

CAS: 548-08-3 Cat. No.: R648730 Peso molecular: 279.33 PubChem CID: 119204

GRADE & PURITY Moligand™, ≥98%

Synonyms

NCGC00163613-01 | Roemerine | (R)-7-Methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline | JCTYWRARKVGOBK-CQSZACIVSA-N | 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-7-methyl-, (7aR)- | MS-23964 | C

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

NCGC00163613-01 | Roemerine | (R)-7-Methyl-6, 7, 7a, 8-tetrahydro-5H-[1, 3]dioxolo[4', 5':4, 5]benzo[1, 2, 3-de]benzo[g]quinoline | JCTYWRARKVGOBK-CQSZACIVSA-N | 5H-Benzo(g)-1, 3-benzodioxolo(6, 5, 4-de)quinoline, 6, 7, 7a, 8-tetrahydro-7-methyl-, (7aR)- | MS-23964 | C

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Roemerine, an aporphine alkaloid, isolated from the leaves of Fibraurea recisa Pierre, functions by interacting with P-glycoprotein . Roemerine reverses the multidrug-resistance phenotype with cultured cells.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3
• IUPAC Name: (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
• InChIKey: JCTYWRARKVGOBK-CQSZACIVSA-N
• INCHI: 1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
• Isómeros SMILES: CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3
• CAS alternativo: 548-08-3
• PubChem CID: 119204
• Términos de entrada MeSH: aporeine;roemerine;roemerine hydrochloride, (R)-isomer;roemerine, (S)-isomer
• Peso molecular: 279.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Aporphines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Aporphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aporphines
• Alternative Parents: Phenanthrenes and derivatives Benzoquinolines Tetrahydroisoquinolines Naphthalenes Benzodioxoles Aralkylamines Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aporphine - Benzoquinoline - Phenanthrene - Naphthalene - Quinoline - Tetrahydroisoquinoline - Benzodioxole - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Acetal - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (358.00 mM; Need ultrasonic)
• Sensibilidad: Light and moisture sensitive
• Peso molecular: 279.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 279.126 Da
• Monoisotopic Mass: 279.126 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 414.000
• 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