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Pomalidomide 4'-PEG2-azide

CAT: 0931-T9387-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9387-02Size:5 mg
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CAS Number
2271036-45-2
Target
E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC
Purity
0.9816
Bioactivity
Pomalidomide 4'-PEG2-azide is a synthetic E3 ligase ligand-linker conjugate, comprising a Pomalidomide-based cereblon ligand and a linker.
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2NCCOCCOCCN=[N+]=[N-]
Molecular Formula
C19H22N6O6
Molecular Weight
430.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pomalidomide 4'-PEG2-azide
CAS Number2271036-45-2
PubChem CID137321407
IUPAC Name4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC19H22N6O6
Molecular Weight430.4
XLogP1.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity754
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H22N6O6/c20-24-22-7-9-31-11-10-30-8-6-21-13-3-1-2-12-16(13)19(29)25(18(12)28)14-4-5-15(26)23-17(14)27/h1-3,14,21H,4-11H2,(H,23,26,27)
InChIKey
BBYXCRBBKSBKOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide 4'-PEG2-azide
CAS: 2271036-45-2
CID: 137321407
Formula: C19H22N6O6
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass430.16008244
Monoisotopic Mass430.16008244
Topological Polar Surface Area128 Ų
Heavy Atom Count31
Formal Charge0
Complexity754
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