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Pomalidomide-CO-C5-Br

CAT: 0804-HY-169010-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-169010-01Size:100 mg
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Description
Pomalidomide-CO-C5-Br (Compound 6b) is a conjugated compound of the E3 ligand Pomalidomide and linker. It can be used to synthesize highly effective PROTAC molecules targeting ADC.
CAS Number
2227423-38-1
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/pomalidomide-co-c5-br.html
Smiles
O=C1NC(C(CC1)N2C(C3=C(C2=O)C(NC(CCCCCBr)=O)=CC=C3)=O)=O
Molecular Formula
C19H20BrN3O5
Molecular Weight
450.28
References & Citations
[1]Xu Q, et al. Acetyl-CoA Carboxylase Proteolysis-Targeting Chimeras: Conceptual Design and Application as Insecticides. J Agric Food Chem. 2024 Aug 28;72 (34) :18809-18815.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide-CO-C5-Br
CAS Number2227423-38-1
PubChem CID135390101
IUPAC Name6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide
Molecular FormulaC19H20BrN3O5
Molecular Weight450.3
XLogP1.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity682
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CCCCCBr
InChI
InChI=1S/C19H20BrN3O5/c20-10-3-1-2-7-14(24)21-12-6-4-5-11-16(12)19(28)23(18(11)27)13-8-9-15(25)22-17(13)26/h4-6,13H,1-3,7-10H2,(H,21,24)(H,22,25,26)
InChIKey
QBULHVGDSQILSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-CO-C5-Br
CAS: 2227423-38-1
CID: 135390101
Formula: C19H20BrN3O5
MW: 450.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.3
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass449.05863
Monoisotopic Mass449.05863
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity682
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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