KH CB19 - Moligand™, ≥97% , Inhibitor of CDC like kinase 1;Inhibitor of CDC like kinase 3;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A, CAS No.1354037-26-5, Inhibitor of CDC like kinase 1;Inhibitor of CDC like kinase 3;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A

CAS: 1354037-26-5 Cat. No.: K335958 Peso molecular: 338.19

GRADE & PURITY Moligand™, ≥97%

Synonyms

Ethyl 3-(2-Amino-1-cyanoethenyl)-6,7-dichloro-1-methylindole-2-carboxylate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

KH CB19 is a potent and selective inhibitor of CDC2-like kinase (CLK) 1 and 4. KH CB19 suppresses serine/arginine-rich protein phosphorylation by CLKs under proinflammatory conditions.

Specifications

Sinónimos

Ethyl 3-(2-Amino-1-cyanoethenyl)-6, 7-dichloro-1-methylindole-2-carboxylate

Especificaciones y pureza

Moligand™, ≥97%

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of CDC like kinase 1;Inhibitor of CDC like kinase 3;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(C2=C(N1C)C(=C(C=C2)Cl)Cl)C(=CN)C#N
• IUPAC Name: ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate
• InChIKey: CXJCGSPAPOTTSF-VURMDHGXSA-N
• INCHI: 1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-
• Isómeros SMILES: CCOC(=O)C1=C(C2=C(N1C)C(=C(C=C2)Cl)Cl)/C(=C\N)/C#N
• CAS alternativo: 1354448-60-4
• Peso molecular: 338.19
• Reaxy-Rn: 21739115
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21739115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: N-alkylindoles Indoles Pyrrole carboxylic acids and derivatives Aryl chlorides Benzenoids N-methylpyrroles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Enamines Nitriles Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organochlorides Monoalkylamines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - N-alkylindole - Indole - Pyrrole-2-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Primary amine - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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 (humanos)

DYRK1A Tchem Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1 Activities)

Discover Target: DYRK1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CLK3 Tchem Dual specificity protein kinase CLK3 (1 Activities)

Discover Target: CLK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CLK1 Tchem Dual specificity protein kinase CLK1 (3 Activities)

Discover Target: CLK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (40 mM).
• Índice de refracción: n20D1.62 (Predicted)
• Punto de ebullición (°C): ~604.1° C at 760 mmHg (Predicted)
• Peso molecular: 338.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 337.038 Da
• Monoisotopic Mass: 337.038 Da
• Topological Polar Surface Area: 81.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 516.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1