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Pomalidomide-PEG3-C2-NH2 (TFA)

CAT: 0804-HY-128716A-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128716A-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pomalidomide-PEG3-C2-NH2 TFA (Cereblon Ligand-Linker Conjugates 5 (TFA) ) is a synthetic E3 ligase ligand-linker conjugate comprising a Pomalidomide -based cereblon ligand and a 3-unit PEG linker. Pomalidomide-PEG3-C2-NH2 TFA can be used for the synthesis of PROTACs[1].
CAS Number
2414913-97-4
Product Name Alternative
Cereblon Ligand-Linker Conjugates 5 (TFA) ; E3 ligase Ligand-Linker Conjugates 30 (TFA)
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-tfa.html
Purity
99.0
Solubility
DMSO : 100 mg/mL (ultrasonic) |Ethanol : 100 mg/mL (ultrasonic) |H2O : 16.67 mg/mL (ultrasonic)
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCN)=O.OC(C(F)(F)F)=O
Molecular Formula
C23H29F3N4O9
Molecular Weight
562.49
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
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Pomalidomide-PEG3-C2-NH2 (TFA)
CAS Number2414913-97-4
PubChem CID138911350
IUPAC Name4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Molecular FormulaC23H29F3N4O9
Molecular Weight562.5
Topological Polar Surface Area187
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity772
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C21H28N4O7.C2HF3O2/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;3-2(4,5)1(6)7/h1-3,16,23H,4-13,22H2,(H,24,26,27);(H,6,7)
InChIKey
ZPYDGLGSAUHERM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-PEG3-C2-NH2 (TFA)
CAS: 2414913-97-4
CID: 138911350
Formula: C23H29F3N4O9
MW: 562.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight562.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass562.18866300
Monoisotopic Mass562.18866300
Topological Polar Surface Area187 Ų
Heavy Atom Count39
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes