PJ34 HCl - ≥97% , CAS No.344458-15-7

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

GRAU & 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

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O PJ34 HCl é o sal clorídrico do PJ34, que é um inibidor da PARP com uma EC50 de 20 nM e é igualmente potente para a PARP1/2.

Especificações

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 |

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

O Inibidor VIII de PARP, PJ34 é um derivado de fenantridinona permeável às células e solúvel em água que inibe a polimerase de poli(ADP-ribose) (PARP; EC50 = 20 nM). Acredita-se que seja até 10 000 vezes mais potente do que a 3-aminobenzamida, que tem uma

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528766651

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

HEK293 (82097 Activities)

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Alvos associados (não 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)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 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