Ellipticine hydrochloride - ≥98% , CAS No.5081-48-1

CAS: 5081-48-1 Cat. No.: E413636 Peso molecular: 282.77

GRADE & PURITY ≥98%

Synonyms

Q27254611 | 5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride | BS-17160 | NSC71795 hydrochloride | D71154 | 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole hydrochloride | BCP30117 | Ellipticine (hydrochloride) | Ellipticine hydrochloride | AC-35692 | UNII-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Ellipticine Hydrochloride (NSC 71795, PZE) is a potent inhibitor ofDNA topoisomerase IIand forms covalent DNA adducts mediated by its oxidation withcytochromes P450 (CYP)andperoxidases. Ellipticine Hydrochloride is a natural product isolated from the Australian evergreen tree of the Apocynaceae family with antineoplastic activity.

Targets

P450 ; peroxidase ; Topo II

Specifications

Sinónimos

Q27254611 | 5, 11-dimethyl-6H-pyrido[4, 3-b]carbazole;hydrochloride | BS-17160 | NSC71795 hydrochloride | D71154 | 5, 11-Dimethyl-6H-pyrido(4, 3-b)carbazole hydrochloride | BCP30117 | Ellipticine (hydrochloride) | Ellipticine hydrochloride | AC-35692 | UNII-2

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ellipticine Hydrochloride (NSC 71795, PZE) is a potent inhibitor of DNA topoisomerase II and forms covalent DNA adducts mediated by its oxidation with cytochromes P450 (CYP) and peroxidases. Ellipticine Hydrochloride is a natural product isolated from the

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Propiedades del producto

• ALogP: 4.435
• hba_count: 1
• Recuento HBD: 1

Nombres e identificadores

• Pubchem Sid: 504757633
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757633
• Sonrisas canónicas: CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C.Cl
• IUPAC Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride
• InChIKey: VSBNVARERCGCEF-UHFFFAOYSA-N
• INCHI: 1S/C17H14N2.ClH/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17;/h3-9,19H,1-2H3;1H
• Isómeros SMILES: CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C.Cl
• CAS alternativo: 519-23-3
• Peso molecular: 282.77
• Reaxy-Rn: 27260898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27260898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Isoquinolines and derivatives Indoles Pyridines and derivatives Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Isoquinoline - Indole - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 3 mg/mL (10.6 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
• Sensibilidad: Moisture sensitive
• DMSO (mg/ml) Solubilidad máxima: 3
• DMSO (mM) Solubilidad máxima: 10.6093291367543
• Agua (mg/ml) Solubilidad máxima: ˂1
• Peso molecular: 282.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 282.092 Da
• Monoisotopic Mass: 282.092 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 342.000
• 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: 2

XLogP3