PJ34 HCl - ≥97% , CAS No.344458-15-7

CAS: 344458-15-7 Cat. No.: P129886 Fórmula: C₁₇H₁₇N₃O₂·HCl Peso molecular: 331.8

CALIDAD & PUREZA ≥97%

Synonyms

A874967 | AS-72775 | HY-13688 | n-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-n,n-dimethylacetamide hydrochloride | AKOS006340934 | CCG-267823 | N~2~,N~2~-Dimethyl-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide--hydrogen chloride (1/1) | EINECS 230-308-2 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PJ34 HCl is the hydrochloride salt of PJ34, which is a PARP inhibitor with EC50 of 20 nM and is equally potent to PARP1/2.

Especificaciones

Sinónimos

A874967 | AS-72775 | HY-13688 | n-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-n,n-dimethylacetamide hydrochloride | AKOS006340934 | CCG-267823 | N~2~,N~2~-Dimethyl-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide--hydrogen chloride (1/1) | EINECS 230-308-2 |

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

PARP Inhibitor VIII, PJ34 is a cell-permeable, water-soluble phenanthridinone derivative which inhibits of poly(ADP-ribose) polymerase (PARP; EC50 = 20 nM). It is believed to be up to 10,000 times more potent than 3-aminobenzamide which has an EC = 200 μM

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.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528766651

Sonrisas canónicas

CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32.Cl

IUPAC Name

2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide;hydrochloride

InChIKey

RURAZZMDMNRXMI-UHFFFAOYSA-N

INCHI

1S/C17H17N3O2.ClH/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15;/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22);1H

Isómeros SMILES

CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32.Cl

WGK Alemania

3

Peso molecular

331.8

Reaxy-Rn

9964965

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9964965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthridines and derivatives
• Alternative Parents: Alpha amino acid amides Hydroquinolones Isoquinolones and derivatives Hydroquinolines N-arylamides Pyridinones Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthridine - Alpha-amino acid amide - Isoquinolone - Dihydroquinolone - Alpha-amino acid or derivatives - Dihydroquinoline - Isoquinoline - N-arylamide - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrochloride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
• 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)

HEK293 (82097 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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N Nucleoprotein (4 Activities)

Discover Target: N

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 66 mg/mL Water 66 mg/mL Ethanol
• Peso molecular: 331.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 331.109 Da
• Monoisotopic Mass: 331.109 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 438.000
• 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