Entasobulin - ≥98% , CAS No.501921-61-5

CAS: 501921-61-5 Cat. No.: E412371 Fórmula: C₂₆H₁₈ClN₃O₂ Peso molecular: 439.9 Número CE: 691-390-7

GRAU & PUREZA ≥98%

Synonyms

Q27289879 | 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide | 2-(1-(4-Chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-quinolin-6-ylacetamide | Entasobulin | AKOS037649169 | BS-16899 | ENTASOBULIN [WHO-DD] | EX-A4526 | 1H-Indole-3-acetamide, 1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Entasobulin is an inhibitor with β-tubulin polymerization with potential anticancer activity.

Especificações

Sinónimos

Q27289879 | 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide | 2-(1-(4-Chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-quinolin-6-ylacetamide | Entasobulin | AKOS037649169 | BS-16899 | ENTASOBULIN [WHO-DD] | EX-A4526 | 1H-Indole-3-acetamide, 1

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Entasobulin is an inhibitor with β-tubulin polymerization with potential anticancer activity.

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%

Nomes e identificadores

Pubchem Sid

504765328

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765328

Sorrisos canónicos

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC5=C(C=C4)N=CC=C5

IUPAC Name

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

InChIKey

LJIUXAHLYIPHOK-UHFFFAOYSA-N

INCHI

1S/C26H18ClN3O2/c27-19-9-7-17(8-10-19)15-30-16-22(21-5-1-2-6-24(21)30)25(31)26(32)29-20-11-12-23-18(14-20)4-3-13-28-23/h1-14,16H,15H2,(H,29,32)

SMILES isoméricas

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC5=C(C=C4)N=CC=C5

Peso molecular

439.9

Reaxy-Rn

12109290

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12109290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: N-alkylindoles Indoles N-arylamides Aryl ketones Chlorobenzenes Substituted pyrroles Pyridines and derivatives Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Quinoline - Indole - Indole or derivatives - N-arylamide - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 439.900 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 439.109 Da
• Monoisotopic Mass: 439.109 Da
• Topological Polar Surface Area: 64.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 680.000
• 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