Collagen proline hydroxylase inhibitor-1 , CAS No.223663-32-9

CAS: 223663-32-9 Cat. No.: C1287351 Peso molecular: 443.5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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.

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN=C4C(=C3)C=CC5=C4NC=C(C5=O)[N+](=O)[O-]
• IUPAC Name: 8-(4-benzylpiperazine-1-carbonyl)-3-nitro-1H-1,10-phenanthrolin-4-one
• InChIKey: HPDVDDAVQSIBPH-UHFFFAOYSA-N
• INCHI: 1S/C24H21N5O4/c30-23-19-7-6-17-12-18(13-25-21(17)22(19)26-14-20(23)29(32)33)24(31)28-10-8-27(9-11-28)15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,26,30)
• Peso molecular: 443.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Nitroquinolines and derivatives Quinoline-3-carboxamides Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Nitroaromatic compounds Benzylamines Phenylmethylamines Aralkylamines N-alkylpiperazines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Nitroquinoline - Quinoline-3-carboxamide - Dihydroquinolone - Quinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 443.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 443.159 Da
• Monoisotopic Mass: 443.159 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 797.000
• 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