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Thalidomide-Piperazine-PEG1-NH2

CAT: 0931-T208127-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T208127-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2357111-29-4
Target
Autophagy, E3 Ligase Ligand-Linker Conjugate, Apoptosis
Related Pathways
Autophagy, PROTAC, Apoptosis
Bioactivity
Thalidomide-Piperazine-PEG1-NH2 is a synthetic E3 ligase ligand-linker conjugate, featuring a cereblon ligand based on Thalidomide and a single linker.
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC=C(C=C3C2=O)N4CCN(CCOCCN)CC4)CC1
Molecular Formula
C21H27N5O5
Molecular Weight
429.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
GTR19261156-01Thalidomide-Piperazine-PEG1-NH2
HY-138789A-01Thalidomide-Piperazine-PEG1-NH2 (diTFA)
BA3031-50Thalidomide-Piperazine-PEG1-COOH
HY-134985Thalidomide-NH-PEG1-NH2
GTR19189204-01Thalidomide-Piperazine-PEG3-NH2
MBS5800273Thalidomide-Piperazine-PEG2-NH2
MBS5786302Thalidomide-NH-PEG1-NH2 hydrochloride
HY-134985AThalidomide-NH-PEG1-NH2 (diTFA)
GTR19154177-01Thalidomide-NH-PEG1-C2-NH2
HY-131867-01Thalidomide-NH-PEG1-NH2 (hydrochloride)

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