2,4'-Dibromoacetophenone - for HPLC derivatization, ≥99%(HPLC) , CAS No.99-73-0

CAS: 99-73-0 Cat. No.: D128625 Peso molecular: 277.94 Beilstein Registry Number: 607604 Número EC: 202-783-6

GRADE & PURITY for HPLC derivatization, ≥99%(HPLC)

Synonyms

2,4'-Dibromoacetophenone, >98% | STL069069 | 2,4'-Dibromoacetophenone, for HPLC derivatization, >=99.0% (HPLC) | .alpha.,para-Dibromoacetophenone | 2,4'-dibromo acetophenone | Halomethyl Phenyl Ketone deriv. 24 | 4-BPB | BP-20195 | CCRIS 3623 | MFCD000002

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

2, 4'-Dibromoacetophenone, >98% | STL069069 | 2, 4'-Dibromoacetophenone, for HPLC derivatization, >=99.0% (HPLC) | .alpha., para-Dibromoacetophenone | 2, 4'-dibromo acetophenone | Halomethyl Phenyl Ketone deriv. 24 | 4-BPB | BP-20195 | CCRIS 3623 | MFCD000002

Especificaciones y pureza

for HPLC derivatization, ≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Cell-permeable, non-ATP competitive GSK-3β inhibitor (IC 50 = 0.5 µM). Phospholipase A 2 inhibitor. Inhibits prostaglandin D2 synthesis from arachidonic acid.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

for HPLC derivatization

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(=O)CBr)Br
• IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone
• InChIKey: FKJSFKCZZIXQIP-UHFFFAOYSA-N
• INCHI: 1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
• Isómeros SMILES: C1=CC(=CC=C1C(=O)CBr)Br
• WGK Alemania: 2
• RTECS: AM6950000
• Número ONU: 3261
• Grupo de embalaje: II
• Peso molecular: 277.94
• Beilstein: 607604
• Reaxy-Rn: 607604
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607604&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Alpha-haloketone - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Objetivos asociados (humanos)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

Discover Target: MAP2K1

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

Objetivos asociados (no humanos)

Mapk1 Mitogen-activated protein kinase 1 (40 Activities)

Discover Target: Mapk1

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

Camkk2 Calcium/calmodulin-dependent protein kinase kinase 2 (3 Activities)

Discover Target: Camkk2

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

Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

Discover Target: Chrm1

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

Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 108-110°C
• Peso molecular: 277.940 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 277.876 Da
• Monoisotopic Mass: 275.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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