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SKI-349

CAT: 0013-GTR19234631-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234631-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SKI-349 is a dual-target inhibitor of sphingosine kinases (SPHK1/2) and microtubule assembly, demonstrating anticancer effects by suppressing hepatocellular carcinoma cell proliferation, invasion, and AKT/mTOR signaling in vitro.
CAS Number
727686-80-8
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (=O) (C=1SC (NC2=CC=C (OC) C=C2) =NC1N) C3=CC (OC) =C (OC) C=C3
Molecular Formula
C19H19N3O4S
Molecular Weight
385.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CAS Number727686-80-8
PubChem CID1512282
IUPAC Name[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone
Molecular FormulaC19H19N3O4S
Molecular Weight385.4
XLogP4.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC(=C(C=C3)OC)OC)N
InChI
InChI=1S/C19H19N3O4S/c1-24-13-7-5-12(6-8-13)21-19-22-18(20)17(27-19)16(23)11-4-9-14(25-2)15(10-11)26-3/h4-10H,20H2,1-3H3,(H,21,22)
InChIKey
OWBQCPZBRPKYKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CAS: 727686-80-8
CID: 1512282
Formula: C19H19N3O4S
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass385.10962727
Monoisotopic Mass385.10962727
Topological Polar Surface Area124 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
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

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BA6257-10SKI-349
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528292-01SKI
BA1289-100NITD-349
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