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Thalidomide-PEG3-NH2 (hydrochloride)

CAT: 0804-HY-130965BSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-130965BSize:1 Each
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Description
Thalidomide-PEG3-NH2 hydrochloride is the Thalidomide -based cereblon ligand used in the recruitment of CRBN protein.Thalidomide-PEG3-NH2 hydrochloride can be connected to the ligand for protein by a linker to form PROTACs[1].
CAS Number
2983036-20-8
UNSPSC
12352005
Target
Apoptosis; Autophagy; E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/thalidomide-peg3-nh2-hydrochloride.html
Purity
98.02
Solubility
10 mM in DMSO
Smiles
NCCOCCOCCOC1=CC=CC2=C1C(N(C3C(NC(CC3)=O)=O)C2=O)=O.Cl
Molecular Formula
C19H24ClN3O7
Molecular Weight
441.86
References & Citations
[1]Fischer ES, et al. Structure of the DDB1-CRBN E3 ubiquitin ligase in complex with thalidomide. Nature. 2014 Aug 7;512 (7512) :49-53. [Content Brief]
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

4-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione hydrochloride
CAS Number2983036-20-8
PubChem CID155292140
IUPAC Name4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
Molecular FormulaC19H24ClN3O7
Molecular Weight441.9
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity641
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCN.Cl
InChI
InChI=1S/C19H23N3O7.ClH/c20-6-7-27-8-9-28-10-11-29-14-3-1-2-12-16(14)19(26)22(18(12)25)13-4-5-15(23)21-17(13)24;/h1-3,13H,4-11,20H2,(H,21,23,24);1H
InChIKey
UNNSZZPWHUBHBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione hydrochloride
CAS: 2983036-20-8
CID: 155292140
Formula: C19H24ClN3O7
MW: 441.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass441.1302778
Monoisotopic Mass441.1302778
Topological Polar Surface Area137 Ų
Heavy Atom Count30
Formal Charge0
Complexity641
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

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