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Pomalidomide 4'-alkylC6-azide

CAT: 0804-HY-139339-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139339-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pomalidomide 4'-alkylC6-azide is the Pomalidomide -based cereblon (CRBN) ligand used in the recruitment of CRBN protein. Pomalidomide 4'-alkylC6-azide can be connected to the ligand for protein by a linker to form PROTAC[1].
CAS Number
2375555-72-7
UNSPSC
12352005
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-alkylc6-azide.html
Purity
99.43
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
[N-]=[N+]=NCCCCCCNC1=CC=CC(C(N2C3C(NC(CC3)=O)=O)=O)=C1C2=O
Molecular Formula
C19H22N6O4
Molecular Weight
398.42
References & Citations
[1]Liu H, et al. Construction of an IMiD-based azide library as a kit for PROTAC research. Org Biomol Chem. 2021 Jan 6;19 (1) :166-170.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide 4'-alkylC6-azide
CAS Number2375555-72-7
PubChem CID150423126
IUPAC Name4-(6-azidohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC19H22N6O4
Molecular Weight398.4
XLogP3.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity719
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C19H22N6O4/c20-24-22-11-4-2-1-3-10-21-13-7-5-6-12-16(13)19(29)25(18(12)28)14-8-9-15(26)23-17(14)27/h5-7,14,21H,1-4,8-11H2,(H,23,26,27)
InChIKey
HIFBXUYLIWPOBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide 4'-alkylC6-azide
CAS: 2375555-72-7
CID: 150423126
Formula: C19H22N6O4
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass398.17025320
Monoisotopic Mass398.17025320
Topological Polar Surface Area110 Ų
Heavy Atom Count29
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

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