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Pomalidomide 5-piperidylamine

CAT: 0804-HY-W998262Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W998262Size:1 Each
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Description
Pomalidomide 5-piperidylamine is the conjugate of an E3 ligase ligand and a linker. Pomalidomide 5-piperidylamine can be used for synthesis of PROTAC PARP1 degrader-2.
CAS Number
2636798-55-3
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-5-piperidylamine.html
Smiles
O=C1C2=CC=C(N3CCC(CC3)N)C=C2C(N1C4C(NC(CC4)=O)=O)=O
Molecular Formula
C18H20N4O4
Molecular Weight
356.38
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Li Y, et al., Parp-1 degradation agent and use thereof. WO2023066363.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-(4-Aminopiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS Number2636798-55-3
PubChem CID148730951
IUPAC Name5-(4-aminopiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC18H20N4O4
Molecular Weight356.4
XLogP0.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity643
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCC(CC4)N
InChI
InChI=1S/C18H20N4O4/c19-10-5-7-21(8-6-10)11-1-2-12-13(9-11)18(26)22(17(12)25)14-3-4-15(23)20-16(14)24/h1-2,9-10,14H,3-8,19H2,(H,20,23,24)
InChIKey
OAYHLPLQBILESW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Aminopiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS: 2636798-55-3
CID: 148730951
Formula: C18H20N4O4
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass356.14845513
Monoisotopic Mass356.14845513
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity643
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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