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Thalidomide-PEG3-NH2 hydrochloride

CAT: 0931-T207874-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207874-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2983036-20-8
Target
Apoptosis, Autophagy, E3 Ligase Ligand-Linker Conjugate
Related Pathways
Autophagy, PROTAC, Apoptosis
Bioactivity
Thalidomide-PEG3-NH2 hydrochloride is a Thalidomide-based cereblon ligand that recruits CRBN proteins. This compound can be connected to a target protein ligand via a linker to form a PROTAC molecule, such as THAL-SNS-032.
Smiles
Cl.O=C1NC(=O)C(N2C(=O)C=3C=CC=C(OCCOCCOCCN)C3C2=O)CC1
Molecular Formula
C19H24ClN3O7
Molecular Weight
441.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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GTR19215625-01Thalidomide-O-amido-PEG3-C2-NH2 hydrochloride
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