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2,4'-Dibromoacetophenone - for HPLC derivatization, ≥99.0% (HPLC), high purity , CAS No.99-73-0
Cell-permeable, non-ATP competitive GSK-3β inhibitor. Phospholipase A 2 inhibitor.
Basic Description
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
Specifications & Purity
for HPLC derivatization, ≥99%(HPLC)
Biochemical and Physiological Mechanisms
Cell-permeable, non-ATP competitive GSK-3β inhibitor (IC 50 = 0.5 µM). Phospholipase A 2 inhibitor. Inhibits prostaglandin D2 synthesis from arachidonic acid.
Shipped In
Normal
Grade
for HPLC derivatization
Note
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-bromo-1-(4-bromophenyl)ethanone
INCHI
InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
FKJSFKCZZIXQIP-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C(=O)CBr)Br
Isomeric SMILES
C1=CC(=CC=C1C(=O)CBr)Br
WGK Germany
2
RTECS
AM6950000
UN Number
3261
Packing Group
II
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
108-110°C
Molecular Weight
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
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