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Pomalidomide-PEG4-C-COOH

CAT: 0804-HY-21930-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-21930-01Size:25 mg
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Description
Pomalidomide-PEG4-C-COOH (Cereblon Ligand -Linker Conjugate 1) is a synthesized E3 ligase ligand-linker conjugate that incorporates the Pomalidomide based cereblon ligand and 4-unit PEG linker used in PROTAC technology.
CAS Number
2097938-44-6
Product Name Alternative
Cereblon Ligand -Linker Conjugates 1; E3 Ligase Ligand-Linker Conjugates 1
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/14-__2-_2,6-dioxopiperidin-3-yl_-1,3-dioxoisoindolin-4-yl_amino_-3,6,9,12-tetraoxatetradecan-1-oic_acid.html
Purity
99.19
Solubility
DMSO : 50 mg/mL (ultrasonic) |Ethanol : 25 mg/mL (ultrasonic)
Smiles
O=C(N(C(CCC1=O)C(N1)=O)C2=O)C(C2=CC=C3)=C3NCCOCCOCCOCCOCC(O)=O
Molecular Formula
C23H29N3O10
Molecular Weight
507.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Guangrong Zheng, et al. Compounds that induce degradation of anti-apoptotic bcl-2 family proteins and the uses thereof. WO2017184995A1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

E3 Ligase Ligand-Linker Conjugates 1
CAS Number2097938-44-6
PubChem CID126843533
IUPAC Name2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC23H29N3O10
Molecular Weight507.5
XLogP-0.1
Topological Polar Surface Area170
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count36
Formal Charge0
Complexity807
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C23H29N3O10/c27-18-5-4-17(21(30)25-18)26-22(31)15-2-1-3-16(20(15)23(26)32)24-6-7-33-8-9-34-10-11-35-12-13-36-14-19(28)29/h1-3,17,24H,4-14H2,(H,28,29)(H,25,27,30)
InChIKey
ZXAUDUQJSKVKNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of E3 Ligase Ligand-Linker Conjugates 1
CAS: 2097938-44-6
CID: 126843533
Formula: C23H29N3O10
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass507.18529413
Monoisotopic Mass507.18529413
Topological Polar Surface Area170 Ų
Heavy Atom Count36
Formal Charge0
Complexity807
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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