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Thalidomide-bis-NH2-C1-PEG3

CAT: 0804-HY-176339Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalidomide-bis-NH2-C1-PEG3 is a synthesized E3 ligase ligand-linker conjugate that can be used in the synthesis of PROTACs, such as BETd-246.
CAS Number
2136248-12-7
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(C(CC1)N2C(C3=C(C2=O)C(NCCCOCCOCCOCCCN)=CC=C3)=O)=O
Molecular Formula
C23H32N4O7
Molecular Weight
476.52
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[3-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
CAS Number2136248-12-7
PubChem CID131986984
IUPAC Name4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC23H32N4O7
Molecular Weight476.5
XLogP0.2
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity719
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCOCCOCCOCCCN
InChI
InChI=1S/C23H32N4O7/c24-8-2-10-32-12-14-34-15-13-33-11-3-9-25-17-5-1-4-16-20(17)23(31)27(22(16)30)18-6-7-19(28)26-21(18)29/h1,4-5,18,25H,2-3,6-15,24H2,(H,26,28,29)
InChIKey
ANISLWIJJJFXOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
CAS: 2136248-12-7
CID: 131986984
Formula: C23H32N4O7
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass476.22709937
Monoisotopic Mass476.22709937
Topological Polar Surface Area149 Ų
Heavy Atom Count34
Formal Charge0
Complexity719
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

Related Products

CatalogName
HY-128844-01Bis-NH2-C1-PEG3
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HY-131646-01Thalidomide-O-amido-C3-PEG3-C1-NH2
HY-138786Thalidomide-5-PEG3-NH2
HY-138787Thalidomide-Piperazine-PEG3-NH2
HY-130965BThalidomide-PEG3-NH2 (hydrochloride)
HY-128801-01NH2-PEG3-C1-Boc
HY-138786A-01Thalidomide-5-PEG3-NH2 (hydrochloride)
HY-138856Thalidomide-NH-amido-PEG3-C2-NH2
HY-156165-01Thalidomide-5-NH-PEG3-NH2 (hydrochloride)

Alternative Products

CatalogName
T212413-01Thalidomide-bis-NH2-C1-PEG3
T18618-01Bis-NH2-C1-PEG3
A18870-50000Bis-NH2-C1-PEG3 50g
A18870-100000Bis-NH2-C1-PEG3 100g
GTR19222331-01Thalidomide-PEG3-NH2
BA3166-25Thalidomide-O-amido-C3-PEG3-C1-NH2
T208126-01Thalidomide-5-PEG3-NH2
T39895-01Thalidomide-Piperazine-PEG3-NH2
GTR19260882-01Thalidomide-PEG3-NH2 hydrochloride

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