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Pom-8PEG

CAT: 0804-HY-132288-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132288-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pom-8PEG, an E3 ligase ligand-linker conjugate, incorporates a cereblon (CRBN) ligand for the E3 ubiquitin ligase and an 8-unit PEG linker. Pom-8PEG can be used in the synthesis of PROTAC, such as IDO1 PROTAC degrader[1].
CAS Number
2488761-03-9
UNSPSC
12352005
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/pom-8peg.html
Purity
95.09
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCOCCOCCOCCOCCO)=O
Molecular Formula
C29H43N3O12
Molecular Weight
625.66
References & Citations
[1]Hu M, et al. Discovery of the first potent proteolysis targeting chimera (PROTAC) degrader of indoleamine 2,3-dioxygenase 1. Acta Pharm Sin B. 2020;10 (10) :1943-1953.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Pom-8PEG
CAS Number2488761-03-9
PubChem CID162482555
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
Molecular FormulaC29H43N3O12
Molecular Weight625.7
XLogP-0.9
Topological Polar Surface Area180
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Heavy Atom Count44
Formal Charge0
Complexity879
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C29H43N3O12/c33-7-9-39-11-13-41-15-17-43-19-21-44-20-18-42-16-14-40-12-10-38-8-6-30-23-3-1-2-22-26(23)29(37)32(28(22)36)24-4-5-25(34)31-27(24)35/h1-3,24,30,33H,4-21H2,(H,31,34,35)
InChIKey
QJYUIYBXSCIRAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pom-8PEG
CAS: 2488761-03-9
CID: 162482555
Formula: C29H43N3O12
MW: 625.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.7
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Exact Mass625.28467382
Monoisotopic Mass625.28467382
Topological Polar Surface Area180 Ų
Heavy Atom Count44
Formal Charge0
Complexity879
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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