POM2-C-HMBP

Ligand id: 9616

Name: POM2-C-HMBP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 118.17
Molecular weight 408.19
XLogP 1.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2,2-dimethylpropanoyloxymethoxy-[(E)-5-hydroxy-4-methylpent-3-enyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate
Database Links
PubChem CID 91864624
Search Google for chemical match using the InChIKey IPOCPVGCROEFJO-NTEUORMPSA-N
Search Google for chemicals with the same backbone IPOCPVGCROEFJO
Search UniChem for chemical match using the InChIKey IPOCPVGCROEFJO-NTEUORMPSA-N
Search UniChem for chemicals with the same backbone IPOCPVGCROEFJO
Comments
POM2-C-HMBP is a synthetic, cell-permeable prodrug of the Vγ2Vδ2 effector T cell activating isoprenoid (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate (HMBPP) [1]. This comound shows improved internalization into target cells compared to HMBPP. Internalization was essential for engagement of BTN3A1, and the enhanced Vγ2Vδ2 effector T cell-mediated lysis of cancer cells was BTN3A1-dependent. Note that Vγ2Vδ2 effector T cells are also known as Vγ9Vδ2 cells.