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2′-Hydroxy-5′-methoxyacetophenone

CAT: 0804-HY-N1731-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-N1731-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2'-Hydroxy-5'-methoxyacetophenone is an acetophenone derivative with acaricidal activities. 2'-Hydroxy-5'-methoxyacetophenone attenuates the inflammatory response via NF-κB signaling pathway. 2'-Hydroxy-5'-methoxyacetophenone exhibits significant inhibitory activity against α-amylase, collagenase and aldose reductase (AR) with IC50s of 0.928, 3.264 and 20.046 μM, highlighting its potential in combating diabetes. 2'-Hydroxy-5'-methoxyacetophenone exhibits anti-ovarian cancer activity[1][2][3].
CAS Number
705-15-7
UNSPSC
12352200
Hazard Statement
H315, H318, H335
Target
COX; NF-κB; NO Synthase; Parasite; Reactive Oxygen Species (ROS) ; TNF Receptor
Type
Biochemical Assay Reagents
Related Pathways
Anti-infection; Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Cancer; Infection; Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/2-hydroxy-5-methoxyacetophenone.html
Purity
99.96
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C1=CC(OC)=CC=C1O)=O
Molecular Formula
C9H10O3
Molecular Weight
166.18
Precautions
H315, H318, H335
References & Citations
[1]Zhou J, et al. Discovery of 2-Ethoxy-5-isobutyramido-N-1-substituted Benzamide Derivatives as Selective Kv2.1 Inhibitors with In Vivo Neuroprotective Effects. J Med Chem. 2024 Jan 11;67 (1) :213-233. |[2]Kim MG, Yang JY, Lee HS. Acaricidal potentials of active properties isolated from Cynanchum paniculatum and acaricidal changes by introducing functional radicals. J Agric Food Chem. 2013 Aug 7;61 (31) :7568-73.|[3]Li Wang et, al. Anti-ovarian cancer and collagenase, alpha amylase, and aldose reductase inhibition properties of 2′-Hydroxy-5′-methoxyacetophenone with molecular modeling studies. 2021 Sep.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported
Isoform
COX-2; iNOS; NF-κB

Chemical Information

1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
CAS Number705-15-7
PubChem CID69714
IUPAC Name1-(2-hydroxy-5-methoxyphenyl)ethanone
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(=O)C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3
InChIKey
MLIBGOFSXXWRIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
CAS: 705-15-7
CID: 69714
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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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