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MS 347a

CAT: 0931-T70626-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70626-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144678-18-2
Target
Others
Related Pathways
Others
Bioactivity
MS 347a is a myosin light chain kinase (MLCK) inhibitor; an epoxide analog of sydowinin B (MS-347b) .
Smiles
C(OC)(=O)C12C3=C(OC=4C(C3=O)=C(O)C=C(CO)C4)C=CC1O2
Molecular Formula
C16H12O7
Molecular Weight
316.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MS 347a

MS-347a is a member of xanthones.

CAS Number144678-18-2
PubChem CID5492196
IUPAC Namemethyl 8-hydroxy-6-(hydroxymethyl)-9-oxo-1aH-oxireno[2,3-a]xanthene-9b-carboxylate
Molecular FormulaC16H12O7
Molecular Weight316.26
XLogP0.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity636
SMILES
COC(=O)C12C(O1)C=CC3=C2C(=O)C4=C(C=C(C=C4O3)CO)O
InChI
InChI=1S/C16H12O7/c1-21-15(20)16-11(23-16)3-2-9-13(16)14(19)12-8(18)4-7(6-17)5-10(12)22-9/h2-5,11,17-18H,6H2,1H3
InChIKey
DYSASOJNGXSFHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MS 347a
CAS: 144678-18-2
CID: 5492196
Formula: C16H12O7
MW: 316.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.26
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass316.05830272
Monoisotopic Mass316.05830272
Topological Polar Surface Area106 Ų
Heavy Atom Count23
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19209449-01MS 347a

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