2-Bromophenanthrene-9,10-dione , CAS No.53622-33-6

CAS: 53622-33-6 Cat. No.: B669183 Peso molecular: 287.11 PubChem CID: 12678912

Synonyms

2-Bromophenanthrene-9,10-dione | 2-BroMo-9,10-phenanthrenequinone | 2-Bromo-9,10-phenanthrenedione | 9,10-Phenanthrenedione, 2-bromo- | DTXSID70506620 | 2-Bromo-phenanthrene-9,10-dione | BDBM50099772 | 2-bromo-9,10-dihydrophenanthrene-9,10-dione | EN300-6

Storage

Room temperature

Specifications

Sinónimos

2-Bromophenanthrene-9, 10-dione | 2-BroMo-9, 10-phenanthrenequinone | 2-Bromo-9, 10-phenanthrenedione | 9, 10-Phenanthrenedione, 2-bromo- | DTXSID70506620 | 2-Bromo-phenanthrene-9, 10-dione | BDBM50099772 | 2-bromo-9, 10-dihydrophenanthrene-9, 10-dione | EN300-6

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 3.2

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C(=O)C2=O
• IUPAC Name: 2-bromophenanthrene-9,10-dione
• InChIKey: DSHTXZUCUCBRAF-UHFFFAOYSA-N
• INCHI: 1S/C14H7BrO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H
• Isómeros SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C(=O)C2=O
• PubChem CID: 12678912
• Peso molecular: 287.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Phenanthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Phenanthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthraquinones
• Alternative Parents: Hydrophenanthrenes Naphthalenes O-quinones Aryl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthraquinone - Hydrophenanthrene - Naphthalene - Aryl ketone - Quinone - O-quinone - Aryl bromide - Aryl halide - Ketone - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthraquinones. These are phenanthrene derivatives containing two ketone groups at position C9 and C10, respectively.
• 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

Objetivos asociados (humanos)

PTPRC Tchem Receptor-type tyrosine-protein phosphatase C (1 Activities)

Discover Target: PTPRC

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTPRC Tchem Leukocyte common antigen (2317 Activities)

Discover Target: PTPRC

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 287.110 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 285.963 Da
• Monoisotopic Mass: 285.963 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 352.000
• 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