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2-Bromo-4'-hydroxyacetophenone

CAT: 0931-T7084Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T7084Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2491-38-5
Target
Phosphatase
Related Pathways
Metabolism
Purity
0.9907
Bioactivity
2-Bromo-4'-hydroxyacetophenone (PTP Inhibitor I) is a cell-permeable, protein tyrosine phosphatase (PTP) inhibitor that covalently blocks the catalytic domain of the Src homology region 2 domain-containing phosphatase (SHP-1 (ΔSH2) ) with a Ki value of 43 μM and PTP1B with a Ki value of 42 μM [1]. SHP-1 and PTP1B both have known roles in regulating insulin signaling as well as myeloid and lymphoid cell differentiation, making inhibitors of these phosphatases of interest in diabetes, cancer, allergy, and inflammation research [2].
Smiles
OC1=CC=C(C=C1)C(=O)CBr
Molecular Formula
C8H7BrO2
Molecular Weight
215.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Bromo-1-(4-hydroxyphenyl)ethanone

electrochemical active reagent

CAS Number2491-38-5
PubChem CID4964
IUPAC Name2-bromo-1-(4-hydroxyphenyl)ethanone
Molecular FormulaC8H7BrO2
Molecular Weight215.04
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=CC(=CC=C1C(=O)CBr)O
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKey
LJYOFQHKEWTQRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-1-(4-hydroxyphenyl)ethanone
CAS: 2491-38-5
CID: 4964
Formula: C8H7BrO2
MW: 215.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.04
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.96294
Monoisotopic Mass213.96294
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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