1,4-DPCA - ≥98% , CAS No.331830-20-7

CAS: 331830-20-7 Cat. No.: D340140 Formule: C₁₃H₈N₂O₃ Poids moléculaire: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

1,4 DPCA is a selective and potent inhibitor of prolyl 4-hydroxylation (P4H)|in vitro|. It has been shown to Inhibit α-prolyl 4-hydroxylase, an oxygen-sensing enzyme that targets the pro-angiogenic factor HIF-1α for destruction upon hydroxylation of a specific proline residue. 1,4-DPCA has also been shown to inhibit asparaginyl-hydroxylase factor inhibiting HIF (FIH) and to be useful for controlling excess collagen deposition in pathological fibrosis.

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528753796
• Sourires canoniques: 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)
• Isomères SMILES: C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1
• Poids moléculaire: 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
• Description: 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

Cibles associées (non humaines)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in: DMSO (2.5 mg/mL, warm); ethanol (5 mg/mL, warm); DMF (5 mg/mL)
• Point d'ébullition (°C): ~474.5° C at 760 mmHg (Predicted)
• Point de fusion (°C): 189.27° C (Predicted)
• Poids moléculaire: 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