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Pomalidomide 4'-PEG2-azide

CAT: 0804-HY-132208-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132208-01Size:25 mg
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Description
Pomalidomide 4'-PEG2-azide is a synthesized E3 ligase ligand-linker conjugate that incorporates the Pomalidomide based cereblon ligand and a linker used in PROTAC technology[1]. Pomalidomide 4'-PEG2-azide is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. It can also undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing DBCO or BCN groups.
CAS Number
2271036-45-2
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-4-peg2-azide.html
Purity
99.30
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCN=[N+]=[N-])=O
Molecular Formula
C19H22N6O6
Molecular Weight
430.41
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide 4'-PEG2-azide
CAS Number2271036-45-2
PubChem CID137321407
IUPAC Name4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC19H22N6O6
Molecular Weight430.4
XLogP1.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity754
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H22N6O6/c20-24-22-7-9-31-11-10-30-8-6-21-13-3-1-2-12-16(13)19(29)25(18(12)28)14-4-5-15(26)23-17(14)27/h1-3,14,21H,4-11H2,(H,23,26,27)
InChIKey
BBYXCRBBKSBKOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide 4'-PEG2-azide
CAS: 2271036-45-2
CID: 137321407
Formula: C19H22N6O6
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass430.16008244
Monoisotopic Mass430.16008244
Topological Polar Surface Area128 Ų
Heavy Atom Count31
Formal Charge0
Complexity754
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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