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Pomalidomide-PEG2-OH

CAT: 0804-HY-W924949-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W924949-05Size:100 mg
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Description
Pomalidomide-PEG3-OH (compound 53a) is an E3 Ligase Ligand-Linker Conjugates consisting of a pomalidomide -based cereblon ligand and a 2-unit PEG linker[1].
CAS Number
2143097-10-1
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pomalidomide-peg2-oh.html
Smiles
O=C1NC(C(CC1)N2C(C3=C(C2=O)C(NCCOCCO)=CC=C3)=O)=O
Molecular Formula
C17H19N3O6
Molecular Weight
361.35
References & Citations
[1]Zhang X, Thummuri D, Liu X, Hu W, Zhang P, Khan S, Yuan Y, Zhou D, Zheng G. Discovery of PROTAC BCL-XL degraders as potent anticancer agents with low on-target platelet toxicity. Eur J Med Chem. 2020 Apr 15;192:112186.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-4-((2-(2-hydroxyethoxy)ethyl)amino)isoindoline-1,3-dione
CAS Number2143097-10-1
PubChem CID132020376
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-hydroxyethoxy)ethylamino]isoindole-1,3-dione
Molecular FormulaC17H19N3O6
Molecular Weight361.3
XLogP0
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity595
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCO
InChI
InChI=1S/C17H19N3O6/c21-7-9-26-8-6-18-11-3-1-2-10-14(11)17(25)20(16(10)24)12-4-5-13(22)19-15(12)23/h1-3,12,18,21H,4-9H2,(H,19,22,23)
InChIKey
TWOVEQMWQFKDIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-4-((2-(2-hydroxyethoxy)ethyl)amino)isoindoline-1,3-dione
CAS: 2143097-10-1
CID: 132020376
Formula: C17H19N3O6
MW: 361.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight361.3
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass361.12738533
Monoisotopic Mass361.12738533
Topological Polar Surface Area125 Ų
Heavy Atom Count26
Formal Charge0
Complexity595
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