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Pomalidomide-amido-C1-Br

CAT: 0931-T18552Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T18552Size:2 mg
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CAS Number
2351106-38-0
Target
Others, E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC, Others
Bioactivity
Pomalidomide-amido-C1-Br is a synthesized conjugate consisting of the Pomalidomide-based cereblon ligand and a linker, functioning as an E3 ligase ligand-linker. This compound serves as a tool for designing a B-Raf PROTAC degrader, specifically PROTAC B-Raf degrader 1, which exhibits anti-cancer activity[1].
Smiles
O=C(NC1=CC=CC=2C(=O)N(C(=O)C12)C3C(=O)NC(=O)CC3)CBr
Molecular Formula
C15H12BrN3O5
Molecular Weight
394.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pomalidomide-amido-C1-Br
CAS Number2351106-38-0
PubChem CID145925665
IUPAC Name2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
Molecular FormulaC15H12BrN3O5
Molecular Weight394.18
XLogP0.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity622
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CBr
InChI
InChI=1S/C15H12BrN3O5/c16-6-11(21)17-8-3-1-2-7-12(8)15(24)19(14(7)23)9-4-5-10(20)18-13(9)22/h1-3,9H,4-6H2,(H,17,21)(H,18,20,22)
InChIKey
VFHGCZZAGNKHIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-amido-C1-Br
CAS: 2351106-38-0
CID: 145925665
Formula: C15H12BrN3O5
MW: 394.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight394.18
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass392.99603
Monoisotopic Mass392.99603
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity622
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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