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Thalidomide-O-C7-acid

CAT: 0804-HY-131874-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131874-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thalidomide-O-C7-acid is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology. Thalidomide-O-C7-acid can be used to synthesize PROTAC[1].
CAS Number
2169266-70-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
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-o-c7-acid.html
Purity
99.38
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCCCCCCOC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O
Molecular Formula
C21H24N2O7
Molecular Weight
416.42
Precautions
H302, H315, H319, H335
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) :998-1008.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-O-C7-acid
CAS Number2169266-70-8
PubChem CID132212017
IUPAC Name8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctanoic acid
Molecular FormulaC21H24N2O7
Molecular Weight416.4
XLogP2
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity707
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCC(=O)O
InChI
InChI=1S/C21H24N2O7/c24-16-11-10-14(19(27)22-16)23-20(28)13-7-6-8-15(18(13)21(23)29)30-12-5-3-1-2-4-9-17(25)26/h6-8,14H,1-5,9-12H2,(H,25,26)(H,22,24,27)
InChIKey
QFRXURXVZYAHGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-C7-acid
CAS: 2169266-70-8
CID: 132212017
Formula: C21H24N2O7
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass416.15835111
Monoisotopic Mass416.15835111
Topological Polar Surface Area130 Ų
Heavy Atom Count30
Formal Charge0
Complexity707
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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