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E3 Ligase Ligand-Linker Conjugates 2

CAT: 1410-M28567-01Size: 5 mgDry Ice: NoHazardous: No
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Description
E3 Ligase Ligand-Linker Conjugates 2 is a synthetic E3 ligase ligand-linker conjugate combining a Pomalidomide-based cereblon ligand and a 4-unit PEG linker.
CAS Number
1818885-63-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
540.57
Molecular Formula
C27H32N4O8
Notes
Research use only, not for human use.
Receptor
CCK1

Chemical Information

4-((2-(2-(2-(2-(4-Aminophenoxy)ethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS Number1818885-63-0
PubChem CID118435234
IUPAC Name4-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC27H32N4O8
Molecular Weight540.6
XLogP1.2
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count39
Formal Charge0
Complexity850
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOC4=CC=C(C=C4)N
InChI
InChI=1S/C27H32N4O8/c28-18-4-6-19(7-5-18)39-17-16-38-15-14-37-13-12-36-11-10-29-21-3-1-2-20-24(21)27(35)31(26(20)34)22-8-9-23(32)30-25(22)33/h1-7,22,29H,8-17,28H2,(H,30,32,33)
InChIKey
QTFDOBJYFQFDIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-(2-(2-(2-(4-Aminophenoxy)ethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS: 1818885-63-0
CID: 118435234
Formula: C27H32N4O8
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass540.22201399
Monoisotopic Mass540.22201399
Topological Polar Surface Area159 Ų
Heavy Atom Count39
Formal Charge0
Complexity850
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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