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Thalidomide-Piperazine-PEG2-NH2

CAT: 0804-HY-138788Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138788Size:1 Each
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Description
Thalidomide-Piperazine-PEG2-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology[1].
CAS Number
2357110-14-4
UNSPSC
12352005
Hazard Statement
H315-H319-H320
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-piperazine-peg2-nh2.html
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CCN(CCOCCOCCN)CC4)=C3)=O
Molecular Formula
C23H31N5O6
Molecular Weight
473.52
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Sato T, et al. Cereblon-Based Small-Molecule Compounds to Control Neural Stem Cell Proliferation in Regenerative Medicine. Front Cell Dev Biol. 2021;9:629326. Published 2021 Mar 11.|[2]Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27 (8) :998-999.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-Piperazine-PEG2-NH2
CAS Number2357110-14-4
PubChem CID138694683
IUPAC Name5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC23H31N5O6
Molecular Weight473.5
XLogP-1
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity771
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCOCCOCCN
InChI
InChI=1S/C23H31N5O6/c24-5-11-33-13-14-34-12-10-26-6-8-27(9-7-26)16-1-2-17-18(15-16)23(32)28(22(17)31)19-3-4-20(29)25-21(19)30/h1-2,15,19H,3-14,24H2,(H,25,29,30)
InChIKey
VSAGRWITOVAPRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-Piperazine-PEG2-NH2
CAS: 2357110-14-4
CID: 138694683
Formula: C23H31N5O6
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass473.22743373
Monoisotopic Mass473.22743373
Topological Polar Surface Area135 Ų
Heavy Atom Count34
Formal Charge0
Complexity771
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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