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Thalidomide-Piperazine-PEG1-NH2

CAT: 0804-HY-138789Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138789Size:1 Each
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Description
Thalidomide-Piperazine-PEG1-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
2357111-29-4
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-peg1-nh2.html
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CCN(CCOCCN)CC4)=C3)=O
Molecular Formula
C21H27N5O5
Molecular Weight
429.47
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) :998-1000.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-Piperazine-PEG1-NH2
CAS Number2357111-29-4
PubChem CID138694703
IUPAC Name5-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC21H27N5O5
Molecular Weight429.5
XLogP-0.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity723
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCOCCN
InChI
InChI=1S/C21H27N5O5/c22-5-11-31-12-10-24-6-8-25(9-7-24)14-1-2-15-16(13-14)21(30)26(20(15)29)17-3-4-18(27)23-19(17)28/h1-2,13,17H,3-12,22H2,(H,23,27,28)
InChIKey
RIUULQPSGWRWMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-Piperazine-PEG1-NH2
CAS: 2357111-29-4
CID: 138694703
Formula: C21H27N5O5
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass429.20121898
Monoisotopic Mass429.20121898
Topological Polar Surface Area125 Ų
Heavy Atom Count31
Formal Charge0
Complexity723
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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GTR19154177-01Thalidomide-NH-PEG1-C2-NH2
GTR19276975-01Thalidomide-Piperazine-PEG2-NH2 hydrochloride
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