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MAPK-IN-3

CAT: 0931-T203402-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203402-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2848599-79-9
Target
ERK, MDM-2/p53, JNK, Reactive Oxygen Species, p38 MAPK, Bcl-2 Family, Caspase, CDK
Related Pathways
Proteases/Proteasome, Cell Cycle/Checkpoint, MAPK, NF-κB, Metabolism, Apoptosis, Immunology/Inflammation
Bioactivity
MAPK-IN-3 (Compound 4a) is an antiproliferative agent demonstrating significant inhibitory effects on KYSE 30, HCT 116, and HGC 27 cell lines, with IC50 values of 0.57 μM, 3.27 μM, and 2.28 μM, respectively. This compound arrests the cell cycle via a p53-dependent mechanism and induces apoptosis through a p53-independent pathway. It reduces the expression of cell cycle-related proteins, such as Cyclin D1 and Cyclin B1, while increasing pro-apoptotic proteins like cleaved PARP, cleaved caspase-7, and cleaved caspase-9. MAPK-IN-3 also decreases anti-apoptotic proteins such as Bcl-2, elevates ROS levels in KYSE 30 cells, and enhances the expression of ROS-related MAPK pathway members, including p-ERK, p-p38, and p-JNK.
Smiles
O=C1C=2C(O)=C(C(OCC(=O)NO)=CC2OC=3C=C(OCC(=O)NO)C(OC)=C(C13)CC=C(C)C)CC=C(C)C
Molecular Formula
C28H32N2O10
Molecular Weight
556.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mapk-IN-3
CAS Number2848599-79-9
PubChem CID172677385
IUPAC NameN-hydroxy-2-[1-hydroxy-6-[2-(hydroxyamino)-2-oxoethoxy]-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxoxanthen-3-yl]oxyacetamide
Molecular FormulaC28H32N2O10
Molecular Weight556.6
XLogP4.6
Topological Polar Surface Area173
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity961
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OCC(=O)NO)OC)CC=C(C)C)OCC(=O)NO)C
InChI
InChI=1S/C28H32N2O10/c1-14(2)6-8-16-18(38-12-22(31)29-35)10-20-25(26(16)33)27(34)24-17(9-7-15(3)4)28(37-5)21(11-19(24)40-20)39-13-23(32)30-36/h6-7,10-11,33,35-36H,8-9,12-13H2,1-5H3,(H,29,31)(H,30,32)
InChIKey
YGXBEJKHNIMTHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mapk-IN-3
CAS: 2848599-79-9
CID: 172677385
Formula: C28H32N2O10
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass556.20569522
Monoisotopic Mass556.20569522
Topological Polar Surface Area173 Ų
Heavy Atom Count40
Formal Charge0
Complexity961
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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