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Flotufolastat F-18

Properties, data and information sources.

 

Contents

Flotufolastat F-18 is an organic chemical compound used in medicine and is labeled with the radioactive isotope fluorine-18.

 

Names and Identifiers

Name
Flotufolastat F-18
Formula
C63H9918FN12O25Si
Molar mass
1470.63 (g/mol)
CAS registry number
2639294-14-5
InChI Key
QMGJNAVROCDAIW-MQNQVPOESA-N

Systematic name
(2S)-2-[[(1S)-1-Carboxy-4-[[(1R)-1-carboxy-4-[[4-[[(5R)-5-carboxy-5-[[(2R)-2-[[(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-3-[[4-[ditert-butyl(fluoranyl)silyl]benzoyl]amino]propanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]butyl]amino]-4-oxobutyl]carbamoylamino]pentanedioic acid

Trade names; preparations
Posluma

 

Chemical formulas

Molecular formula and structural formula of Flotufolastat F-18:

 

C63H9918FN12O25Si

Mr = 1470.6299 g/mol

(2S)-2-[[(1S)-1-Carboxy-4-[[(1R)-1-carboxy-4-[[4-[[(5R)-5-carboxy-5-[[(2R)-2-[[(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-3-[[4-[ditert-butyl(fluoranyl)silyl]benzoyl]amino]propanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]butyl]amino]-4-oxobutyl]carbamoylamino]pentanedioic acid
SMILES: CC(C)(C)[Si](C1=CC=C(C=C1)C(=O)NC[C@H](C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)(C(C)(C)C)[18F]

 

Spectroscopic data:

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Flotufolastat F-18 - C63H9918FN12O25Si - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
63 Ar = 12.011 u
ΣAr = 756.693 u
12C: 12 u [98,94 %]
13C: 13.00335 u [1,06 %]
14C: 14.00324 u [<< 1 %]
 
12C: 50.90826 %
13C: 0.54541 %
14C: trace
51.4537 %H
Hydrogen
99 Ar = 1.008 u
ΣAr = 99.792 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 6.78499 %
2H: 0.00068 %
6.7857 %F
Fluorine
1ΣAr = 18.0009373 u
18F: 18.00094 u [100 %]
 
18F: 1.22403 %
1.2240 %N
Nitrogen
12 Ar = 14.007 u
ΣAr = 168.084 u
14N: 14.00307 u [99,6205 %]
15N: 15.00011 u [0,3795 %]
 
14N: 11.38601 %
15N: 0.04337 %
11.4294 %O
Oxygen
25 Ar = 15.999 u
ΣAr = 399.975 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 27.13144 %
17O: 0.01043 %
18O: 0.05575 %
27.1975 %Si
Silicon
1ΣAr = 28.085 u
28Si: 27.97693 u [92,254 %]
29Si: 28.97649 u [4,673 %]
30Si: 29.97377 u [3,073 %]
 
28Si: 1.7618 %
29Si: 0.08924 %
30Si: 0.05869 %
1.9097 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 1470.6299373 grams per mole.

The amount of substance in one kilogram of the substance is n = 0.68 mol.

The amount of substance in one gram of the substance is n = 0.001 mol.

Monoisotopic mass: 1469.6622955488 Da - related to 12C631H9918F14N1216O2528Si.

 

Flotufolastat F-18 as Active Ingredient

Flotufolastat F-18 is used for positron emission tomography (PET) of prostate-specific membrane antigen (PSMA)-positive lesions in men with suspected metastatic prostate cancer and is therefore used for diagnostic imaging. The intravenously administered active ingredient binds to the prostate-specific membrane antigen PSMA (IC50 = 4.4 nM). The radioisotope 18F undergoes β+ decay and emits positrons, which are measured using PET tomography and processed into an image.

radiopharmaceutical was approved in the USA in 2023.

For detailed information on the active ingredient, see: DrugBank DB17851, NCI Thesaurus C191871.

 

External Sources

PubChem:ID 154572844Kegg database DBGET:ID D12606UNII of the FDA (USA):Unique Ingredient Identifier 811W19E3OLOther CAS RN:2305060-41-5 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Flotufolastat F-18 as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Flotufolastat.

[1] - Young-A Heo:
Flotufolastat F 18: Diagnostic First Approval.
In: Molecular Diagnosis & Therapy, 27, 631-636, (2023), DOI 10.1007/s40291-023-00665-y.

 


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Last update: 2024-10-19


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