AT-7519 Hydrochloride - 10mM in DMSO , CAS No.902135-91-5

CAS: 902135-91-5 Cat. No.: A426810 Peso molecular: 418.71 PubChem CID: 25033099

GRADE & PURITY 10mM in DMSO

Synonyms

PAOFPNGYBWGKCO-UHFFFAOYSA-N | 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidine-4-ylamide hydrochloride | BCP01950 | AT-7519(HCI) | 4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide--hydrogen chloride (1/1) | 1H-P

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

PAOFPNGYBWGKCO-UHFFFAOYSA-N | 4-(2, 6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidine-4-ylamide hydrochloride | BCP01950 | AT-7519(HCI) | 4-(2, 6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide--hydrogen chloride (1/1) | 1H-P

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl.Cl
• IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
• InChIKey: PAOFPNGYBWGKCO-UHFFFAOYSA-N
• INCHI: 1S/C16H17Cl2N5O2.ClH/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9;/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24);1H
• Isómeros SMILES: C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl.Cl
• PubChem CID: 25033099
• Peso molecular: 418.71

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 Pyrazole-5-carboxamides 2-heteroaryl carboxamides Dichlorobenzenes Benzoyl derivatives Piperidines Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Vinylogous amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 418.700 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 417.053 Da
• Monoisotopic Mass: 417.053 Da
• Topological Polar Surface Area: 98.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 479.000
• 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: 2

XLogP3