CK 666 - 10mM in DMSO , CAS No.442633-00-3

CAS: 442633-00-3 Cat. No.: C424000 Fórmula: C₁₈H₁₇FN₂O Peso molecular: 296.34 Número CE: 687-170-5

GRAU & PUREZA 10mM in DMSO

Synonyms

CK-0944666 | UXRKUKRXVWJFER-UHFFFAOYSA-N | 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide | 2-Fluoro-N-[2-(2-methyl-1H-indol-3-yl)-ethyl]-benzamide | SCHEMBL3382638 | CK 666 | Z1038843750 | STK766770 | HY-16926 | 2-Fluoro-N-(2-(2-methyl-1H-indol-3-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Especificações

Sinónimos

CK-0944666 | UXRKUKRXVWJFER-UHFFFAOYSA-N | 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide | 2-Fluoro-N-[2-(2-methyl-1H-indol-3-yl)-ethyl]-benzamide | SCHEMBL3382638 | CK 666 | Z1038843750 | STK766770 | HY-16926 | 2-Fluoro-N-(2-(2-methyl-1H-indol-3-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Potent inhibitor of actin polymerization. Inhibits the Arp2/3 (IC 50 = 17 μM), SpArp2/3 (IC 50 = 5 μM) and HsArp2/3 complexes (IC 50 = 4 μM) by preventing a shift into an active conformation.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528763747

Sorrisos canónicos

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CC=C3F

IUPAC Name

2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

InChIKey

UXRKUKRXVWJFER-UHFFFAOYSA-N

INCHI

1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)

SMILES isoméricas

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CC=C3F

Peso molecular

296.34

Reaxy-Rn

19720234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19720234&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Substituted pyrroles Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous halide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: organofluorine compound - indoles - benzamides

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

Propriedades químicas e físicas

• Peso molecular: 296.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 296.132 Da
• Monoisotopic Mass: 296.132 Da
• Topological Polar Surface Area: 44.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 389.000
• 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