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Pomalidomide-C5-azide

CAT: 0804-HY-139336-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139336-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pomalidomide-C5-azide is an E3 ubiquitin ligase cereblon (CRBN) ligand-Linker conjugate. The azide group can undergo a click chemical reaction[1].
CAS Number
2434629-02-2
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pomalidomide-c5-azide.html
Purity
97.46
Solubility
10 mM in DMSO
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCN=[N+]=[N-])=O
Molecular Formula
C18H20N6O4
Molecular Weight
384.39
References & Citations
[1]Yonghui Sun, et al. Developing potent BTKC481S PROTACs for ibrutinib-resistant malignant lymphoma. Chinese Chemical Letters. Volume 34, Issue 6, June 2023, 107924.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide-C5-azide
CAS Number2434629-02-2
PubChem CID152396664
IUPAC Name4-(5-azidopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC18H20N6O4
Molecular Weight384.4
XLogP2.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity704
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCN=[N+]=[N-]
InChI
InChI=1S/C18H20N6O4/c19-23-21-10-3-1-2-9-20-12-6-4-5-11-15(12)18(28)24(17(11)27)13-7-8-14(25)22-16(13)26/h4-6,13,20H,1-3,7-10H2,(H,22,25,26)
InChIKey
XINWYKDRHLFQFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-C5-azide
CAS: 2434629-02-2
CID: 152396664
Formula: C18H20N6O4
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass384.15460314
Monoisotopic Mass384.15460314
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity704
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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