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DUB-IN-1

CAT: 0013-GTR19176774-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176774-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DUB-IN-1 is a potent and selective small molecule inhibitor of USP8, demonstrating an IC50 of 0.24 μM. This compound is a valuable chemical probe for investigating deubiquitinase function in cancer research and cellular signaling pathways, useful for both in vitro and cell-based assays.
CAS Number
924296-18-4
Product Name Alternative
USP8, Inhibitor, inhibit, Deubiquitinase, DUB IN 1, DUBIN1, DUB-IN-1, DUBs
Field of Research
Cell Biology, Molecular Biology, Protein Biochemistry
Purity
97.11% (May vary between batches)
Solubility
DMSO:45 mg/mL (133.4 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (5.93 mM)
Smiles
N#Cc1nc2\C (=N\OCc3ccccc3) c3ccccc3-c2nc1C#N
Molecular Formula
C20H11N5O
Molecular Weight
337.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DUBs-IN-1
CAS Number924296-18-4
PubChem CID16065490
IUPAC Name(9E)-9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Molecular FormulaC20H11N5O
Molecular Weight337.3
XLogP3.5
Topological Polar Surface Area95
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity637
SMILES
C1=CC=C(C=C1)CO/N=C/2\C3=CC=CC=C3C4=NC(=C(N=C42)C#N)C#N
InChI
InChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2/b25-19+
InChIKey
GKOWDIBLCDZJHF-NCELDCMTSA-N
Chemical Structure
2D Structure
2D structure of DUBs-IN-1
CAS: 924296-18-4
CID: 16065490
Formula: C20H11N5O
MW: 337.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass337.09635999
Monoisotopic Mass337.09635999
Topological Polar Surface Area95 Ų
Heavy Atom Count26
Formal Charge0
Complexity637
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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