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MS-444

CAT: 0931-T16145Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16145Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150045-18-4
Target
Myosin, Serine/threonin kinase
Related Pathways
Metabolism, Cell Cycle/Checkpoint, Cytoskeletal Signaling
Purity
0.9945
Bioactivity
MS-444 (BE-34776) is a smooth muscle myosin light chain kinase (MLCK) and HuR inhibitor with antitumor activity for triple-negative breast and colorectal cancer.
Smiles
O=C1C=2C(O)=CC=C(O)C2CC3=COC(=C13)C
Molecular Formula
C13H10O4
Molecular Weight
230.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,8-dihydroxy-3-methyl-4-(9H)-naphtho(2,3-c)furanone

MS-444 is a naphthofuran.

CAS Number150045-18-4
PubChem CID132904
IUPAC Name5,8-dihydroxy-3-methyl-9H-benzo[f][2]benzofuran-4-one
Molecular FormulaC13H10O4
Molecular Weight230.22
XLogP2.7
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity329
SMILES
CC1=C2C(=CO1)CC3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C13H10O4/c1-6-11-7(5-17-6)4-8-9(14)2-3-10(15)12(8)13(11)16/h2-3,5,14-15H,4H2,1H3
InChIKey
TZUYDLKHNQUNKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,8-dihydroxy-3-methyl-4-(9H)-naphtho(2,3-c)furanone
CAS: 150045-18-4
CID: 132904
Formula: C13H10O4
MW: 230.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.22
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass230.05790880
Monoisotopic Mass230.05790880
Topological Polar Surface Area70.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity329
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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Alternative Products

CatalogName
AGA04518-01MS-444
A13800-5MS-444 5mg
A13800-2MS-444 2mg
A13800-1MS-444 1mg
A13800-50MS-444 50mg
A13800-10MS-444 10mg
A13800-100MS-444 100mg
A13800-25MS-444 25mg
HY-125602MNI-444
MBS3843699-01CPI-444

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