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LLL12

CAT: 0931-T71099-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71099-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1260247-42-4
Target
Others, STAT
Related Pathways
Others, Stem Cells, JAK/STAT signaling
Bioactivity
LLL12, a small molecule inhibitor of STAT3, inhibits STAT3 phosphorylation and enhances the inhibitory effects of Cisplatin and Paclitaxel on ovarian cancer cell formation, migration, and growth [1].
Smiles
S(N)(=O)(=O)C1=C2C(C(=O)C=3C(C2=O)=CC=CC3O)=CC=C1
Molecular Formula
C14H9NO5S
Molecular Weight
303.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lll-12
CAS Number1260247-42-4
PubChem CID46911017
IUPAC Name5-hydroxy-9,10-dioxoanthracene-1-sulfonamide
Molecular FormulaC14H9NO5S
Molecular Weight303.29
XLogP2.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity566
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)N
InChI
InChI=1S/C14H9NO5S/c15-21(19,20)10-6-2-4-8-12(10)14(18)7-3-1-5-9(16)11(7)13(8)17/h1-6,16H,(H2,15,19,20)
InChIKey
CQBHSRLUQDYPBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lll-12
CAS: 1260247-42-4
CID: 46911017
Formula: C14H9NO5S
MW: 303.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.29
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass303.02014356
Monoisotopic Mass303.02014356
Topological Polar Surface Area123 Ų
Heavy Atom Count21
Formal Charge0
Complexity566
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

Alternative Products

CatalogName
BA6417-1LLL12
MBS6089410-01LLL12 (5-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide)
L2652-01LLL12 (5-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide) discontinued
217812STAT3 Inhibitor XIV, LLL12 (5-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-1-sulfonamide) discontinued

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