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Pomalidomide-PEG3-C2-NH2

CAT: 0804-HY-128716-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-128716-01Size:1 g
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Description
Pomalidomide-PEG3-C2-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Pomalidomide based cereblon ligand and 3-unit PEG linker used in PROTAC technology.
CAS Number
2093416-31-8
Product Name Alternative
Cereblon Ligand-Linker Conjugates 5; E3 ligase Ligand-Linker Conjugates 30
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e3-ligase-ligand-linker-conjugates-30.html
Solubility
10 mM in DMSO
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCN)=O
Molecular Formula
C21H28N4O7
Molecular Weight
448.47
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Li Y, et al. Discovery of MD-224 as a First-in-Class, Highly Potent, and Efficacious Proteolysis Targeting Chimera Murine Double Minute 2 Degrader Capable of Achieving Complete and Durable Tumor Regression. J Med Chem. 2019 Jan 24;62 (2) :448-466.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Pomalidomide-PEG3-C2-NH2
CAS Number2093416-31-8
PubChem CID131999703
IUPAC Name4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC21H28N4O7
Molecular Weight448.5
XLogP-0.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCN
InChI
InChI=1S/C21H28N4O7/c22-6-8-30-10-12-32-13-11-31-9-7-23-15-3-1-2-14-18(15)21(29)25(20(14)28)16-4-5-17(26)24-19(16)27/h1-3,16,23H,4-13,22H2,(H,24,26,27)
InChIKey
ALLUGXFCRRSPMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-PEG3-C2-NH2
CAS: 2093416-31-8
CID: 131999703
Formula: C21H28N4O7
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass448.19579924
Monoisotopic Mass448.19579924
Topological Polar Surface Area149 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
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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Alternative Products

CatalogName
MBS3615554-01Pomalidomide-PEG3-C2-NH2
T18553-01Pomalidomide-amido-PEG3-C2-NH2
A19141-100Pomalidomide-PEG3-C2-NH2 100mg
A19141-25Pomalidomide-PEG3-C2-NH2 25mg
MBS5800407Pomalidomide-PEG3-C2-NH2 hydrochloride
A19141-200Pomalidomide-PEG3-C2-NH2 200mg
A19141-50Pomalidomide-PEG3-C2-NH2 50mg
MBS5770749Pomalidomide-PEG3-C2-NH2 (TFA)
A19141-10Pomalidomide-PEG3-C2-NH2 10mg
A19141-1Pomalidomide-PEG3-C2-NH2 1mg

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