NVP-LCQ195 - ≥98% , CAS No.902156-99-4

CAS: 902156-99-4 Cat. No.: N127100 Peso molecular: 460.33

GRADE & PURITY ≥98%

Synonyms

4-(2,6-dichlorobenzamido)-N-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazole-3-carboxamide | AT9311 | AT-9311 | CLB15699 | NVP-LCQ195 | 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulfonyl-piperidin-4-yl)-amide | DTXSID90470112 | S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

NVP-LCQ195 (AT9311; LCQ195) is a small molecule heterocyclic inhibitor of CDK1, CDK2, CDK3 and CDK5 with IC50 of 1-42 nM.

Specifications

Sinónimos

4-(2, 6-dichlorobenzamido)-N-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazole-3-carboxamide | AT9311 | AT-9311 | CLB15699 | NVP-LCQ195 | 4-(2, 6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulfonyl-piperidin-4-yl)-amide | DTXSID90470112 | S

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

NVP-LCQ195 (AT9311; LCQ195) is a small molecule heterocyclic compound which inhibits CDK1, CDK2 and CDK5, as well as CDK3 and CDK9. Cell cycle regulators, such as cyclin-dependent kinases (CDKs), are appealing targets for multiple myeloma (MM) therapy giv

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.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
• IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
• InChIKey: CCUXEBOOTMDSAM-UHFFFAOYSA-N
• INCHI: 1S/C17H19Cl2N5O4S/c1-29(27,28)24-7-5-10(6-8-24)21-17(26)15-13(9-20-23-15)22-16(25)14-11(18)3-2-4-12(14)19/h2-4,9-10H,5-8H2,1H3,(H,20,23)(H,21,26)(H,22,25)
• Isómeros SMILES: CS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
• Peso molecular: 460.33
• Reaxy-Rn: 29790092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29790092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 2-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 2-halobenzoic acids and derivatives
• Alternative Parents: Benzamides 2-heteroaryl carboxamides Benzoyl derivatives Dichlorobenzenes Pyrazole-5-carboxamides Aryl chlorides Organic sulfonamides Organosulfonamides Piperidines Vinylogous halides Heteroaromatic compounds Sulfonyls Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Sulfonyl - Vinylogous halide - Organosulfonic acid or derivatives - Vinylogous amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the 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

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 460.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 459.053 Da
• Monoisotopic Mass: 459.053 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 701.000
• 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