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Pomalidomide-PEG1-C2-COOH

CAT: 0804-HY-137531-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137531-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pomalidomide-PEG1-C2-COOH is a synthesized E3 ligase ligand-linker conjugate that incorporates the Pomalidomide based cereblon ligand and 1-unit PEG linker used in PROTAC technology[1].
CAS Number
2139348-60-8
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/pomalidomide-peg1-c2-cooh.html
Purity
99.88
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
OC(CCOCCNC1=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=CC=C1)=O
Molecular Formula
C18H19N3O7
Molecular Weight
389.36
Precautions
H302, H315, H319, H335
References & Citations
[1]Qiu X, et al. Jiang B. Chemoselective Synthesis of Lenalidomide-Based PROTAC Library Using Alkylation Reaction. Org Lett. 2019;21 (10) :3838-3841.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)propanoic acid
CAS Number2139348-60-8
PubChem CID134473539
IUPAC Name3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid
Molecular FormulaC18H19N3O7
Molecular Weight389.4
XLogP0.2
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity680
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCC(=O)O
InChI
InChI=1S/C18H19N3O7/c22-13-5-4-12(16(25)20-13)21-17(26)10-2-1-3-11(15(10)18(21)27)19-7-9-28-8-6-14(23)24/h1-3,12,19H,4-9H2,(H,23,24)(H,20,22,25)
InChIKey
GXCGXOBFROXMLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)propanoic acid
CAS: 2139348-60-8
CID: 134473539
Formula: C18H19N3O7
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass389.12229995
Monoisotopic Mass389.12229995
Topological Polar Surface Area142 Ų
Heavy Atom Count28
Formal Charge0
Complexity680
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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