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

CAS: 501921-61-5 Cat. No.: E412371 Formule: C₂₆H₁₈ClN₃O₂ Poids moléculaire: 439.9 Numéro CE: 691-390-7

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

Information

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504765328

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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