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TRAP

CAT: 0804-HY-W873634-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W873634-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRAP-Pr is a radionuclide conjugate (RDC) that can bind to the radionuclide [68]Ga. RDCs have the ability to specifically target biomolecules and can be used in medical imaging or therapy. TRAP-Pr can be further functionalized with acetone and used in click chemistry CuAAC reactions to conjugate other labeled molecules.
CAS Number
1242003-07-1
Product Name Alternative
TRAP-Pr
UNSPSC
12352203
Hazard Statement
H302-H315-H319-H335
Target
Radionuclide-Drug Conjugates (RDCs)
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/trap.html
Smiles
O=C(CCP(O)(CN1CCN(CP(O)(CCC(O)=O)=O)CCN(CP(O)(CCC(O)=O)=O)CC1)=O)O
Molecular Formula
C18H36N3O12P3
Molecular Weight
579.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
Phase 4
Isoform
RDC Bifunctional Chelator

Chemical Information

Trap
CAS Number1242003-07-1
PubChem CID88776687
IUPAC Name3-[[4,7-bis[[2-carboxyethyl(hydroxy)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-hydroxyphosphoryl]propanoic acid
Molecular FormulaC18H36N3O12P3
Molecular Weight579.4
XLogP-12
Topological Polar Surface Area234
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Heavy Atom Count36
Formal Charge0
Complexity791
SMILES
C1CN(CCN(CCN1CP(=O)(CCC(=O)O)O)CP(=O)(CCC(=O)O)O)CP(=O)(CCC(=O)O)O
InChI
InChI=1S/C18H36N3O12P3/c22-16(23)1-10-34(28,29)13-19-4-6-20(14-35(30,31)11-2-17(24)25)8-9-21(7-5-19)15-36(32,33)12-3-18(26)27/h1-15H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey
YAMHLBFZUOLXGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trap
CAS: 1242003-07-1
CID: 88776687
Formula: C18H36N3O12P3
MW: 579.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.4
XLogP3-12
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Exact Mass579.15118459
Monoisotopic Mass579.15118459
Topological Polar Surface Area234 Ų
Heavy Atom Count36
Formal Charge0
Complexity791
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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