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Pomalidomide-PEG6-butyl iodide

CAT: 0931-T18557Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T18557Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1835705-74-2
Target
Others, E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC, Others
Bioactivity
Pomalidomide-PEG6-butyl iodide is a chemically synthesized E3 ligase ligand-linker conjugate, combining the cereblon ligand from Pomalidomide with a 6-unit PEG linker, commonly used in PROTAC technology [1].
Smiles
O=C(NC1=CC=CC=2C(=O)N(C(=O)C12)C3C(=O)NC(=O)CC3)COCCOCCOCCOCCOCCOCCCCCCI
Molecular Formula
C31H44IN3O11
Molecular Weight
761.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pomalidomide-PEG6-Butyl Iodide
CAS Number1835705-74-2
PubChem CID129072827
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[2-[2-[2-[2-[2-(6-iodohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
Molecular FormulaC31H44IN3O11
Molecular Weight761.6
XLogP2.1
Topological Polar Surface Area168
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count25
Heavy Atom Count46
Formal Charge0
Complexity972
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COCCOCCOCCOCCOCCOCCCCCCI
InChI
InChI=1S/C31H44IN3O11/c32-10-3-1-2-4-11-41-12-13-42-14-15-43-16-17-44-18-19-45-20-21-46-22-27(37)33-24-7-5-6-23-28(24)31(40)35(30(23)39)25-8-9-26(36)34-29(25)38/h5-7,25H,1-4,8-22H2,(H,33,37)(H,34,36,38)
InChIKey
NPWUUZRWHPEICJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-PEG6-Butyl Iodide
CAS: 1835705-74-2
CID: 129072827
Formula: C31H44IN3O11
MW: 761.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight761.6
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count25
Exact Mass761.20206
Monoisotopic Mass761.20206
Topological Polar Surface Area168 Ų
Heavy Atom Count46
Formal Charge0
Complexity972
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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HY-136156-01Pomalidomide-PEG6-butyl iodide
MD327328-2Pomalidomide-PEG2-butyl iodide
sc-506331Pomalidomide-C6-PEG3-butyl iodide
OR42211-01Tert-Butyl iodide
B29420-01Sec-Butyl iodide 97%
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IL-0185-HP-BULK1-Butyl-4-methylpyridinium iodide
IL-0184-HP-50001-Butyl-3-methylpyridinium iodide
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