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ACA-28

CAT: 0804-HY-147855-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147855-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ACA-28 is a potent ERK MAPK signaling modulator. ACA-28 selectively inhibits cancer cell growth and induces apoptosis. ACA-28 can activate nuclear factor erythroid 2-related factor 2 (Nrf2) signaling via inducing ROS production. ACA-28 can be used for the research of cancer, such as melanoma [1][2].
CAS Number
948044-25-5
UNSPSC
12352005
Target
Apoptosis; ERK; Keap1-Nrf2; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; MAPK/ERK Pathway; Metabolic Enzyme/Protease; NF-κB; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aca-28.html
Concentration
10mM
Purity
99.70
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC)OC1=CC=C(C(C2=CC=CC=C2)OC(OC)=O)C=C1
Molecular Formula
C17H16O6
Molecular Weight
316.31
References & Citations
[1]Satoh R, et al. Discovery of new benzhydrol biscarbonate esters as potent and selective apoptosis inducers of human melanomas bearing the activated ERK pathway: SAR studies on an ERK MAPK signaling modulator, ACA-28. Bioorg Chem. 2020 Oct;103:104137. |[2]Takasaki T, et al. ACA-28, an ERK MAPK Signaling Modulator, Exerts Anticancer Activity through ROS Induction in Melanoma and Pancreatic Cancer Cells. Oxid Med Cell Longev. 2024 Mar 11;2024:7683793.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[4-[Methoxycarbonyloxy(phenyl)methyl]phenyl] methyl carbonate
CAS Number948044-25-5
PubChem CID44574021
IUPAC Name[4-[methoxycarbonyloxy(phenyl)methyl]phenyl] methyl carbonate
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP3.9
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity383
SMILES
COC(=O)OC1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)OC
InChI
InChI=1S/C17H16O6/c1-20-16(18)22-14-10-8-13(9-11-14)15(23-17(19)21-2)12-6-4-3-5-7-12/h3-11,15H,1-2H3
InChIKey
UZLVJKSHIATGCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[Methoxycarbonyloxy(phenyl)methyl]phenyl] methyl carbonate
CAS: 948044-25-5
CID: 44574021
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area71.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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