1,4-DPCA - ≥98% , CAS No.331830-20-7

CAS: 331830-20-7 Cat. No.: D340140 Fórmula: C₁₃H₈N₂O₃ Peso molecular: 240.21

GRADE & PURITY ≥98%

Synonyms

EC-000.2078 | SCHEMBL13225925 | 1,4-dihydrophenonthrolin-4-one-3-Carboxylic acid | 3-Acetyl-1H-[1,10]phenanthrolin-4-one | J-019071 | HMS3649E16 | SR-01000946603-1 | PD127748 | inverted exclamation mark-dihydro-4-oxo-1,10-phenanthroline-3-carboxylic acid

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

1,4 O DPCA é um inibidor seletivo e potente da prolil 4-hidroxilação (P4H)|in vitro|. Foi demonstrado que inibe a α-prolil 4-hidroxilase, uma enzima sensível ao oxigénio que tem como alvo o fator pró-angiogénico HIF-1α para destruição após hidroxilação de um resíduo específico de prolina. também se demonstrou que o 1,4-DPCA inibe o fator de inibição da asparaginil-hidroxilase HIF (FIH) e é útil para controlar a deposição excessiva de colagénio na fibrose patológica.

Specifications

Sinónimos

EC-000.2078 | SCHEMBL13225925 | 1,4-dihydrophenonthrolin-4-one-3-Carboxylic acid | 3-Acetyl-1H-[1,10]phenanthrolin-4-one | J-019071 | HMS3649E16 | SR-01000946603-1 | PD127748 | inverted exclamation mark-dihydro-4-oxo-1,10-phenanthroline-3-carboxylic acid

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528753796
• Sorrisos canónicos: C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1
• IUPAC Name: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
• InChIKey: XZZHOJONZJQARN-UHFFFAOYSA-N
• INCHI: 1S/C13H8N2O3/c16-12-8-4-3-7-2-1-5-14-10(7)11(8)15-6-9(12)13(17)18/h1-6H,(H,15,16)(H,17,18)
• SMILES isoméricas: C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1
• Peso molecular: 240.21
• Reaxy-Rn: 210131
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Quinoline carboxylic acids Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a 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

Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in: DMSO (2.5 mg/mL, warm); ethanol (5 mg/mL, warm); DMF (5 mg/mL)
• Ponto de ebulição (°C): ~474.5° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 189.27° C (Predicted)
• Peso molecular: 240.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 240.053 Da
• Monoisotopic Mass: 240.053 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 418.000
• 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