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Thalidomide-5-Br,6-F

CAT: 0804-HY-W586320-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W586320-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thalidomide-5-Br,6-F is a Thalidomide analogue. Thalidomide-5-Br,6-F is an activator of E3 ligase, which ubiquitinylates proteins for proteolysis. The structure may be further derivatized via substitution at fluorine or bromine.
CAS Number
2803445-69-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=C(F)C(Br)=C3)=O
Molecular Formula
C13H8BrFN2O4
Molecular Weight
355.12
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number2803445-69-2
PubChem CID162422175
IUPAC Name5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
Molecular FormulaC13H8BrFN2O4
Molecular Weight355.12
XLogP1.1
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity540
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)Br)F
InChI
InChI=1S/C13H8BrFN2O4/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
YIDMXKLYNAEIDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS: 2803445-69-2
CID: 162422175
Formula: C13H8BrFN2O4
MW: 355.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.12
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass353.96515
Monoisotopic Mass353.96515
Topological Polar Surface Area83.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity540
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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