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Iopofosine I-124

HCID 11570943
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
873438-87-0
Standard SMILES
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc([124I])cc1
InChIKey
ZOAIEFWMQLYMTF-PEHXSSJGSA-N
Molecular formula
C29H53INO4P
Average molar mass
634.6 g/mol
Monoisotopic mass
634.27743

Overview

Iodine I 124 Iopofosine is a radioconjugate composed of the radioisotope iodine I 124 covalently attached to the alkylphospholipid ether (PLE) analog iopofosine, with potential imaging activity upon positron emission tomography (PET). Upon administration, iodine I 124 iopofosine is selectively taken up by tumor cells via membrane lipid rafts and accumulates in tumor cells. The accumulation of this agent is due to a decreased ability of tumor cells to metabolize PLEs because certain tumor cells have lower levels of the enzyme phospholipase-D (PLD), in comparison to normal cells. As tumor cells are unable to metabolize and eliminate iopofosine, tumor cells can be visualized upon PET imaging. Lipid rafts, specialized microdomains of plasma membrane, are overexpressed in cancer cells compared to normal cells. In addition, the radioiodine moiety of this agent is resistant to de-iodination. PLD is an enzyme found in the cell membrane of normal cells that degrades phospholipids.

Names & identifiers

Preferred name
Iopofosine I-124
IUPAC
18-(4-iodophenyl)octadecyl 2-(trimethylazaniumyl)ethyl phosphate

Names & synonyms

NM-404 I-124IOPOFOSINE I-124UNII-08W354EC17I124-NM404I-124-CLR 1404((124)I)NM404[(124)I]NM40418-(p-(I-124)iodophenyl) Octadecyl Phosphocholine18-(p-[I-124]iodophenyl) Octadecyl PhosphocholineIopofosine I 124RefChem:201260Iodine I 124 Iopofosine
Show more names
124I-NM404I-124-CLR140408W354EC1718-(P-(124I )-Iodophenyl)octadecyl phosphocholineI-124-NM404873438-87-0124I-CLR1404(124I)-CLR1404

Database identifiers

CAS
873438-87-0
PubChem CID
11570943
ChEMBL
CHEMBL4297390
UNII
08W354EC17

Properties

Computed structural properties

XLogP
9.9
Topological polar surface area
58.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
24
Heavy atoms
36
Formal charge
0
Complexity
542

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Compound notes

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