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Thalidomide-O-amido-C8-NH2

CAT: 0804-HY-107439Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalidomide-O-amido-C8-NH2 (Cereblon Ligand-Linker Conjugates 2), a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker, can be used in the synthesis of PROTACs[1].
CAS Number
1950635-15-0
Product Name Alternative
Cereblon Ligand-Linker Conjugates 2; E3 Ligase Ligand-Linker Conjugates 20
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/dBRD9-2.html
Solubility
10 mM in DMSO
Smiles
NCCCCCCCCNC(COC1=C(C(N2C(CCC3=O)C(N3)=O)=O)C(C2=O)=CC=C1)=O
Molecular Formula
C23H30N4O6
Molecular Weight
458.51
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]James Bradner, et al. Methods to induce targeted protein degradation through bifunctional molecules. WO 2017024317 A2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

E3 Ligase Ligand-Linker Conjugates 20
CAS Number1950635-15-0
PubChem CID121411068
IUPAC NameN-(8-aminooctyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC23H30N4O6
Molecular Weight458.5
XLogP1
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity757
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCCCN
InChI
InChI=1S/C23H30N4O6/c24-12-5-3-1-2-4-6-13-25-19(29)14-33-17-9-7-8-15-20(17)23(32)27(22(15)31)16-10-11-18(28)26-21(16)30/h7-9,16H,1-6,10-14,24H2,(H,25,29)(H,26,28,30)
InChIKey
QTUVCTXXMOZFHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of E3 Ligase Ligand-Linker Conjugates 20
CAS: 1950635-15-0
CID: 121411068
Formula: C23H30N4O6
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass458.21653469
Monoisotopic Mass458.21653469
Topological Polar Surface Area148 Ų
Heavy Atom Count33
Formal Charge0
Complexity757
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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GTR19225653-01Thalidomide-O-amido-C8-NH2
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A20108-100Thalidomide-O-amido-C8-NH2 (TFA) 100mg
A20108-50Thalidomide-O-amido-C8-NH2 (TFA) 50mg
A20108-500Thalidomide-O-amido-C8-NH2 (TFA) 500mg
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T208136-01Thalidomide-NH-amido-C8-NH2

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