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SKI-I

CAT: 0013-GTR19186968-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186968-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SKI-I is a selective sphingosine kinase (SK) inhibitor with an IC50 of 1.2 μM against ST-hSK, and it also inhibits hERK2 (IC50 = 11 μM) . This compound induces apoptosis in tumor cell lines and is a valuable tool for studying cancer biology and cell signaling pathways in vitro.
CAS Number
306301-68-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
Oc1ccc2ccccc2c1\C=N\NC (=O) c1cc ([nH]n1) -c1ccc2ccccc2c1
Molecular Formula
C25H18N4O2
Molecular Weight
406.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CAS Number306301-68-8
PubChem CID135515522
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
Molecular FormulaC25H18N4O2
Molecular Weight406.4
XLogP5.3
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity655
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)/b26-15+
InChIKey
XOXCTLAKMCIWCF-CVKSISIWSA-N
Chemical Structure
2D Structure
2D structure of N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CAS: 306301-68-8
CID: 135515522
Formula: C25H18N4O2
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass406.14297583
Monoisotopic Mass406.14297583
Topological Polar Surface Area90.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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