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SMER3

CAT: 0931-T23371-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T23371-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67200-34-4
Target
Ligand for E3 Ligase, E1/E2/E3 Enzyme
Related Pathways
Ubiquitination, PROTAC
Purity
0.9835
Bioactivity
SMER3 is an inhibitor of the Skp1-Cullin-F-box (SCF) (Met30) ubiquitin ligase, a member of the SCF E3-ligase family, which regulates diverse cellular processes including transcription, cell-cycle control and immune response.
Smiles
O=C1c2ccccc2-c2nc3nonc3nc12
Molecular Formula
C11H4N4O2
Molecular Weight
224.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Smer3

LSM-42773 is an aromatic ketone.

CAS Number67200-34-4
PubChem CID568763
IUPAC Name13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
Molecular FormulaC11H4N4O2
Molecular Weight224.17
XLogP1.2
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity350
SMILES
C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O
InChI
InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H
InChIKey
SFSSAKVWCKFRHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Smer3
CAS: 67200-34-4
CID: 568763
Formula: C11H4N4O2
MW: 224.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.17
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass224.03342538
Monoisotopic Mass224.03342538
Topological Polar Surface Area81.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity350
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
HY-10949-01SMER3
TBI1356-25MGSMER3, E3 Ubiquitin ligase inhibitor

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