PGP 4008 - ≥93% , CAS No.365565-02-2

CAS: 365565-02-2 Cat. No.: P276113 Fórmula: C₂₆H₂₃N₃O Peso molecular: 393.49 PubChem CID: 9821937

GRADE & PURITY ≥93%

Synonyms

M7JJR8HX5D | N-(1-Benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl)-2-phenylacetamide | SCHEMBL6783544 | HY-119823 | MS-26599 | Benzeneacetamide, N-(2,3-dihydro-1-(phenylmethyl)-1H-pyrrolo(2,3-b)quinolin-4-yl)- | CID 9821937 | PGP-4008 | UNII-M7JJR8HX5D

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Armazenar a -20°C. Armazenar em condições de dessecação. O produto pode ser armazenado até 12 meses.

Specifications

Sinónimos

M7JJR8HX5D | N-(1-Benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl)-2-phenylacetamide | SCHEMBL6783544 | HY-119823 | MS-26599 | Benzeneacetamide, N-(2,3-dihydro-1-(phenylmethyl)-1H-pyrrolo(2,3-b)quinolin-4-yl)- | CID 9821937 | PGP-4008 | UNII-M7JJR8HX5D

Especificações e pureza

≥93%

Mecanismos bioquímicos e fisiológicos

Inibidor seletivo da glicoproteína-P. Inverte a resistência aos fármacos mediada pela Pgp em células NCI/ADR. Apresenta efeitos sinérgicos com a doxorrubicina in vivo.

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

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

≥93%

Nomes e identificadores

• Sorrisos canónicos: C1CN(C2=NC3=CC=CC=C3C(=C21)NC(=O)CC4=CC=CC=C4)CC5=CC=CC=C5
• IUPAC Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-phenylacetamide
• InChIKey: HVIAKQBMYMKWII-UHFFFAOYSA-N
• INCHI: 1S/C26H23N3O/c30-24(17-19-9-3-1-4-10-19)28-25-21-13-7-8-14-23(21)27-26-22(25)15-16-29(26)18-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,28,30)
• SMILES isoméricas: C1CN(C2=NC3=CC=CC=C3C(=C21)NC(=O)CC4=CC=CC=C4)CC5=CC=CC=C5
• PubChem CID: 9821937
• Peso molecular: 393.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzylaminopyridines
• Alternative Parents: Pyrroloquinolines Aminoquinolines and derivatives Phenylacetamides N-arylamides Dialkylarylamines Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzylaminopyridine - Pyrroloquinoline - Aminoquinoline - Phenylacetamide - Quinoline - Dialkylarylamine - N-arylamide - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.
• 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)

MCF7 (126967 Activities)

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MCF7-VP (29 Activities)

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T-24 (2342 Activities)

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Alvos associados (não humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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Mus musculus (284745 Activities)

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P388/ADR (1216 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol to 5 mM and in DMSO to 50 mM
• Peso molecular: 393.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 393.184 Da
• Monoisotopic Mass: 393.184 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 569.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥93% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 365565-02-2, the molecular formula is C26H23N3O, and the molecular weight is 393.49 g/mol. InChIKey HVIAKQBMYMKWII-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.