1,4,8,11-Tetraazacyclotetradecane-5,7-dione

Product Information

Molecular Formula:
C10H20 N4 O2
Molecular Weight:
228.2914
Description
1,4,8,11-Tetraazacyclotetradecane-5,7-dione is a versatile compound widely used in the biomedical industry. It acts as a chelating agent and forms stable complexes with various metals. This product finds applications in the synthesis of metal-based drugs for treating conditions like cancer and cardiovascular diseases. Its unique structure enables targeted drug delivery, enhancing their efficacy while minimizing side effects.
Synonyms
1,4,8,11-TETRAAZACYCLOTETRADECANE-5,7-DIONE; DIOXOCYCLAM
IUPAC Name
1,4,8,11-tetrazacyclotetradecane-5,7-dione
Canonical SMILES
C1CNCCNC(=O)CC(=O)NCCNC1
InChI
InChI=1S/C10H20N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)
InChI Key
BGVLBVASHIQNIO-UHFFFAOYSA-N
Boiling Point
552.1°C at 760 mmHg
Melting Point
172-176°C(lit.)
Flash Point
Not applicable
Purity
95%
Density
1.012 g/cm3
Appearance
White to Light Red Solid

Safety Information

Hazards
H314
Precautionary Statement
P280 - P305 + P351 + P338 - P310

Computed Properties

XLogP3
-1.7
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
228.15862589 g/mol
Monoisotopic Mass
228.15862589 g/mol
Topological Polar Surface Area
82.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
211
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022023539-A1 Gallium-labeled gastrin analogue and use in a method of imaging cckb-receptor-positive tumors or cancers 2020-07-31
WO-2022023541-A1 Composition comprising a rapalog and a radiolabelled gastrin analogue, in particular for use in the treatment and/or diagnosis of cckb receptor positive cancer or tumors 2020-07-31
WO-2021122472-A1 Polyurea copolymer 2019-12-17
WO-2021110860-A1 Reactive conjugates 2019-12-03
WO-2020156513-A1 Bi-ligand drug conjugate and use thereof 2019-01-30
TW-202100183-A Double ligand drug complex and its use 2019-01-30
AU-2020214507-A1 Bi-ligand drug conjugate and use thereof 2019-01-30
CN-113453720-A Double-ligand drug couplet and application thereof 2019-01-30
KR-20210119413-A Dual-ligand drug conjugates and uses thereof 2019-01-30
CA-3127903-A1 Bi-ligand drug conjugate and use thereof 2019-01-30

Literatures

PMID Publication Date Title Journal
20652203 2010-09-07 Syntheses, solid state and solution structures of the palladium(II) complexes of malonamide-derived open-chain and macrocyclic ligands Dalton transactions (Cambridge, England : 2003)
19961146 2010-03-15 Soluble heterometallic coordination polymers based on a bis-terpyridine-functionalized dioxocyclam ligand Inorganic chemistry
16323896 2005-12-12 Synthesis and properties of cobalt(III) complexes of 4-substituted pyridine-capped dioxocyclams Inorganic chemistry
16060640 2005-08-08 Synthesis and complexation of 'back-to-back' capped bis-dioxocyclams Inorganic chemistry
14606857 2003-11-17 Chemistry of constrained dioxocyclam ligands with Co(III): unusual examples of C-H and C-N bond cleavage Inorganic chemistry
14575465 2003-10-31 N-functionalization of poly(ethylene glycol)-linked mono- and bis-dioxocyclams as potential ligands for Gd3+ The Journal of organic chemistry
12050331 2002-06-01 The synthesis and radiolabeling of 2-nitroimidazole derivatives of cyclam and their preclinical evaluation as positive markers of tumor hypoxia Journal of nuclear medicine : official publication, Society of Nuclear Medicine
11932550 2002-04-01 cis-Dioxocyclam Acta crystallographica. Section C, Crystal structure communications
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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