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ACA-28

CAT: 0931-T60821-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T60821-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
948044-25-5
Target
Apoptosis, ERK
Related Pathways
Apoptosis, MAPK
Purity
0.9873
Bioactivity
ACA-28 is an ERK MAPK signalling modulator that induces apoptosis in melanoma cells by overexpressing ERK. Its IC50 values for melanoma cells (SK-MEL-28) and normal melanocytes (NHEM) are 5.3 and 10.1 μM respectively.
Smiles
C(OC(OC)=O)(C1=CC=C(OC(OC)=O)C=C1)C2=CC=CC=C2
Molecular Formula
C17H16O6
Molecular Weight
316.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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