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Pomalidomide 4'-alkylC8-acid

CAT: 0804-HY-131863-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131863-01Size:1 mg
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Description
Pomalidomide 4'-alkylC8-acid is an E3 ubiquitin ligase ligand-Linker conjugate containing Pomalidomide. Pomalidomide is a third-generation immunomodulator that acts like a molecular glue. Pomalidomide interacts with the E3 ligase cereblon to induce degradation of the essential Ikaros transcription factor[1].
CAS Number
2305936-70-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
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-4-alkylc8-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O
Molecular Formula
C22H27N3O6
Molecular Weight
429.47
Precautions
P261-P280-P302+P352
References & Citations
[1]Zhu YX, et al. Molecular mechanism of action of the immune-modulatory drugs, thalidomide, lenalidomide and pomalidomide in multiple myeloma. Leuk Lymphoma. 2013 Apr;54 (4) :683-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide 4'-alkylC8-acid
CAS Number2305936-70-1
PubChem CID139467481
IUPAC Name9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoic acid
Molecular FormulaC22H27N3O6
Molecular Weight429.5
XLogP3.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity724
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCCCC(=O)O
InChI
InChI=1S/C22H27N3O6/c26-17-12-11-16(20(29)24-17)25-21(30)14-8-7-9-15(19(14)22(25)31)23-13-6-4-2-1-3-5-10-18(27)28/h7-9,16,23H,1-6,10-13H2,(H,27,28)(H,24,26,29)
InChIKey
OGMJVYCYINHWEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide 4'-alkylC8-acid
CAS: 2305936-70-1
CID: 139467481
Formula: C22H27N3O6
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass429.18998559
Monoisotopic Mass429.18998559
Topological Polar Surface Area133 Ų
Heavy Atom Count31
Formal Charge0
Complexity724
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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