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Pomalidomide 4'-alkylC3-azide

CAT: 0804-HY-139341-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139341-01Size:5 mg
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Description
Pomalidomide 4'-alkylC3-azide (compound 2a) is an E3 ligase ligand-linker conjugate containing a Pomalidomide based cereblon (CRBN) ligand and a linker. Pomalidomide 4'-alkylC3-azide can be used in the synthesis of PROTAC[1].
CAS Number
2357108-05-3
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-alkylc3-azide.html
Solubility
10 mM in DMSO
Smiles
[N-]=[N+]=NCCCNC1=CC=CC(C(N2C3C(NC(CC3)=O)=O)=O)=C1C2=O
Molecular Formula
C16H16N6O4
Molecular Weight
356.34
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide 4'-alkylC3-azide
CAS Number2357108-05-3
PubChem CID138695365
IUPAC Name4-(3-azidopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC16H16N6O4
Molecular Weight356.34
XLogP2.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity674
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCN=[N+]=[N-]
InChI
InChI=1S/C16H16N6O4/c17-21-19-8-2-7-18-10-4-1-3-9-13(10)16(26)22(15(9)25)11-5-6-12(23)20-14(11)24/h1,3-4,11,18H,2,5-8H2,(H,20,23,24)
InChIKey
XYBSIBZAOLUERZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide 4'-alkylC3-azide
CAS: 2357108-05-3
CID: 138695365
Formula: C16H16N6O4
MW: 356.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.34
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass356.12330301
Monoisotopic Mass356.12330301
Topological Polar Surface Area110 Ų
Heavy Atom Count26
Formal Charge0
Complexity674
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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