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

CAS: 5081-48-1 Cat. No.: E413636 Fórmula: C₁₇H₁₅ClN₂ 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

Visão geral

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Propriedades do produto

ALogP

4.435

hba_count

1

Contagem HBD

1

Nomes e identificadores

Pubchem Sid

504757633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757633

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 3 mg/mL (10.6 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
• Sensibilidade: Moisture sensitive
• DMSO (mg/mL) Solubilidade máxima: 3
• DMSO (mM) Solubilidade máxima: 10.6093291367543
• Água (mg/mL) Solubilidade 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5081-48-1, the molecular formula is C17H15ClN2, and the molecular weight is 282.77 g/mol. InChIKey VSBNVARERCGCEF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.