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Pomalidomide-C2-amide-C4-Br

CAT: 0804-HY-164391Size: 1 EachDry Ice: NoHazardous: No
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Description
Pomalidomide-C2-amide-C4-Br is an E3 ligase ligand-linker conjugate containing a Pomalidomide based cereblon (CRBN) ligand and a linker. Pomalidomide-C2-amide-C4-Br can be used in the synthesis of PROTACs[1].
CAS Number
2545963-02-6
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-c2-amide-c4-br.html
Smiles
O=C1NC(C(CC1)N2C(C3=C(C2=O)C(NCCNC(CCCCBr)=O)=CC=C3)=O)=O
Molecular Formula
C20H23BrN4O5
Molecular Weight
479.32
References & Citations
[1]Chengchun Zhu, et al. Design, Synthesis and Antitumor Activity of a Novel Class of SHP2 Allosteric Inhibitors with a Furanyl Amide-Based Scaffold. J Med Chem. 2024 Aug 8;67 (15) :13305-13323.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pomalidomide-C2-amide-C4-Br
CAS Number2545963-02-6
PubChem CID169549287
IUPAC Name5-bromo-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pentanamide
Molecular FormulaC20H23BrN4O5
Molecular Weight479.3
XLogP1.4
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity715
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCNC(=O)CCCCBr
InChI
InChI=1S/C20H23BrN4O5/c21-9-2-1-6-15(26)23-11-10-22-13-5-3-4-12-17(13)20(30)25(19(12)29)14-7-8-16(27)24-18(14)28/h3-5,14,22H,1-2,6-11H2,(H,23,26)(H,24,27,28)
InChIKey
CEPSVXFJNSLQFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-C2-amide-C4-Br
CAS: 2545963-02-6
CID: 169549287
Formula: C20H23BrN4O5
MW: 479.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.3
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass478.08518
Monoisotopic Mass478.08518
Topological Polar Surface Area125 Ų
Heavy Atom Count30
Formal Charge0
Complexity715
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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