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Bis-Cbz-cyclen

CAT: 0804-HY-W402032-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W402032-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bis-Cbz-cyclen is a bifunctional chelator. Bifunctional chelating agents are used to stably link the radiometal to the carrier moiety of the radiopharmaceutical[1].
CAS Number
162148-45-0
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/bis-cbz-cyclen.html
Solubility
10 mM in DMSO
Smiles
O=C(N1CCNCCN(C(OCC2=CC=CC=C2)=O)CCNCC1)OCC3=CC=CC=C3
Molecular Formula
C24H32N4O4
Molecular Weight
440.54
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Sarko D, et al. Bifunctional chelators in the design and application of radiopharmaceuticals for oncological diseases. Curr Med Chem. 2012;19 (17) :2667-88.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
CAS Number162148-45-0
PubChem CID393883
IUPAC Namedibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
Molecular FormulaC24H32N4O4
Molecular Weight440.5
XLogP1.9
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity490
SMILES
C1CN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H32N4O4/c29-23(31-19-21-7-3-1-4-8-21)27-15-11-25-13-17-28(18-14-26-12-16-27)24(30)32-20-22-9-5-2-6-10-22/h1-10,25-26H,11-20H2
InChIKey
XLXMYMNBHSMTEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
CAS: 162148-45-0
CID: 393883
Formula: C24H32N4O4
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass440.24235551
Monoisotopic Mass440.24235551
Topological Polar Surface Area83.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity490
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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