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Ubiquitination-IN-1

CAT: 0013-GTR19175668-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175668-01Size:5 mg
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Description
Ubiquitination-IN-1 is a potent small molecule inhibitor that disrupts the Cks1-Skp2 interaction and inhibits ubiquitination with an IC50 of 0.17 μM. This compound is a valuable research tool for studying cell cycle regulation, protein degradation, and has been utilized in both in vitro and in vivo cancer research models.
CAS Number
1819330-15-8
Product Name Alternative
Inhibit, Inhibitor, interaction, E1 activating enzyme, E2 conjugating enzyme, E1/E2/E3 Enzyme, E3 ligating enzyme, degradation, Cksl, protein-protein, Skp2, suppressors, tumor, Ubiquitin activating enzyme, ubiquitination, Ubiquitination IN 1, UbiquitinationIN1, Ubiquitination-IN-1, Ubiquitin ligase, Ubiquitin conjugating enzyme
Field of Research
Protein Biochemistry
Purity
98.36% (May vary between batches)
Solubility
DMSO:60 mg/mL (139.72 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.66 mM)
Smiles
FC (F) (F) c1cccc (c1) S (=O) (=O) Nc1ccc (-c2cccnc2) c2cccnc12
Molecular Formula
C21H14F3N3O2S
Molecular Weight
429.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CAS Number1819330-15-8
PubChem CID118873492
IUPAC NameN-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide
Molecular FormulaC21H14F3N3O2S
Molecular Weight429.4
XLogP4.2
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity682
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=C3C(=C(C=C2)C4=CN=CC=C4)C=CC=N3)C(F)(F)F
InChI
InChI=1S/C21H14F3N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19/h1-13,27H
InChIKey
RTHSEYQQWBBPHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CAS: 1819330-15-8
CID: 118873492
Formula: C21H14F3N3O2S
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass429.07588236
Monoisotopic Mass429.07588236
Topological Polar Surface Area80.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity682
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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