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MS-444

CAT: 1410-M33436-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M33436-02Size:2 mg
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Description
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.
CAS Number
150045-18-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
230.22
Molecular Formula
C13H10O4
Notes
Research use only, not for human use.
Receptor
Myosin | Serine/threonin kinase

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
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