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DCFBC F-18

CAT: 0931-T25294-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25294-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1169942-33-9
Target
Others
Related Pathways
Others
Bioactivity
DCFBC F-18 is a radioconjugate containing a low molecular weight tracer, DCFBC, specific for prostate-specific membrane antigen (PSMA) and labeled with the positron-emitting isotope F 18 with potential prostate tumor imaging upon positron emission tomography (PET) .
Smiles
C(SC[C@H](NC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)C1=CC=C([18F])C=C1
Molecular Formula
C16H19FN2O7S
Molecular Weight
401.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dcfbc F-18

DCFBC F-18 is under investigation in clinical trial NCT02190279 (18F-DCFBC PET/CT in Prostate Cancer).

CAS Number1169942-33-9
PubChem CID25067411
IUPAC Name(2S)-2-[[(1R)-1-carboxy-2-[(4-fluorophenyl)methylsulfanyl]ethyl]carbamoylamino]pentanedioic acid
Molecular FormulaC16H19FN2O7S
Molecular Weight401.4
XLogP0.7
Topological Polar Surface Area178
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity541
SMILES
C1=CC(=CC=C1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[18F]
InChI
InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1/i17-1
InChIKey
IDTMSHGCAZPVLC-STUNTBJNSA-N
Chemical Structure
2D Structure
2D structure of Dcfbc F-18
CAS: 1169942-33-9
CID: 25067411
Formula: C16H19FN2O7S
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass401.092234
Monoisotopic Mass401.092234
Topological Polar Surface Area178 Ų
Heavy Atom Count27
Formal Charge0
Complexity541
Isotope Atom Count1
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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