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Thalidomide-5,6-F

CAT: 0931-T38985Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T38985Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1496997-41-1
Target
Others, Ligand for E3 Ligase, Apoptosis, Autophagy
Related Pathways
PROTAC, Autophagy, Others, Apoptosis
Bioactivity
Thalidomide-5,6-F is a cereblon ligand derived from Thalidomide that is utilized for the recruitment of CRBN protein. It can be conjugated to a protein ligand through a linker, thus enabling the formation of PROTACs, a class of molecules with targeted protein degradation capabilities.
Smiles
O=C1N(C(=O)C=2C1=CC(F)=C(F)C2)C3C(=O)NC(=O)CC3
Molecular Formula
C13H8F2N2O4
Molecular Weight
294.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,6-dioxopiperidin-3-yl)-5,6-difluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number1496997-41-1
PubChem CID65968512
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21
XLogP0.5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity510
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)F
InChI
InChI=1S/C13H8F2N2O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2H2,(H,16,18,19)
InChIKey
AGHXYRKTAZEQQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dioxopiperidin-3-yl)-5,6-difluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS: 1496997-41-1
CID: 65968512
Formula: C13H8F2N2O4
MW: 294.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.21
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass294.04521306
Monoisotopic Mass294.04521306
Topological Polar Surface Area83.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W093272-01Thalidomide-5,6-F
GTR19258557-01Thalidomide-5-Br,6-F
GTR19275196-01Thalidomide-5-NH2-6-F
HY-W998250Thalidomide-5-F-6-I
HY-W998238Thalidomide-5-F-6-azetidin-MeOH
HY-W998242Thalidomide-6-F-5-Pip-COOH
GTR19277037-01Thalidomide-6-F-5-pip-CHO
HY-W998241Thalidomide-6-F-5-azetidine-COOH
HY-W576868-01Thalidomide-4,5-F
HY-W998335(S) -Deoxy-thalidomide-6-F-5-piperazine (benzenesulfonate)

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