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Pomalidomide-C6-COOH

CAT: 0804-HY-131887-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131887-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pomalidomide-C6-COOH is the pomalidomide-based cereblon (CRBN) ligand used in the recruitment of CRBN protein. Pomalidomide-6-OH can be connected to the ligand for protein by a linker to form PROTAC[1].
CAS Number
2225940-50-9
UNSPSC
12352005
Hazard Statement
H361
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pomalidomide-c6-cooh.html
Purity
98.02
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(O)CCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O
Molecular Formula
C20H23N3O6
Molecular Weight
401.41
Precautions
H361
References & Citations
[1]Xiaojuan Qu, et al. Effective degradation of EGFRL858R+T790M mutant proteins by CRBN-based PROTACs through both proteosome and autophagy/lysosome degradation systems. Eur J Med Chem. 2021.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)heptanoic acid
CAS Number2225940-50-9
PubChem CID134589631
IUPAC Name7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoic acid
Molecular FormulaC20H23N3O6
Molecular Weight401.4
XLogP2
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity694
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCC(=O)O
InChI
InChI=1S/C20H23N3O6/c24-15-10-9-14(18(27)22-15)23-19(28)12-6-5-7-13(17(12)20(23)29)21-11-4-2-1-3-8-16(25)26/h5-7,14,21H,1-4,8-11H2,(H,25,26)(H,22,24,27)
InChIKey
USOIUAJFCJMMOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)heptanoic acid
CAS: 2225940-50-9
CID: 134589631
Formula: C20H23N3O6
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass401.15868546
Monoisotopic Mass401.15868546
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity694
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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