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NOTA

Cat No.:V62066 Purity: ≥98%
NOTA is a bifunctional chelate that serves as a framework for building PET imaging tools.
NOTA
NOTA Chemical Structure CAS No.: 56491-86-2
Product category: Others 12
This product is for research use only, not for human use. We do not sell to patients.
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10mg
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Product Description
NOTA is a bifunctional chelate that serves as a framework for building PET imaging tools. NOTA can also be used for probe design and signal amplification through multivalent effects.
NOTA (1,4,7-triazacyclononane-1,4,7-triacetic acid) (CAS 56491-86-2) is a bifunctional chelating agent widely used in radiochemistry and molecular imaging. It is a triazamacrocyclic chelator with three acetic acid arms and a nitrogen-rich macrocyclic ring that enables strong, stable complexation with radiometals such as gallium-68, copper-64, and indium-111. NOTA acts as a framework to construct PET imaging tools and can be used for probe design and signal amplification via the multivalent effect. It is used in research on multiple myeloma, breast cancer, lymphoma, and myocardial infarction. The compound is intended for research use only.
Biological Activity I Assay Protocols (From Reference)
Targets
Radiometals including gallium-68 (⁶⁸Ga), copper-64 (⁶⁴Cu), and indium-111 (¹¹¹In). NOTA is a bifunctional chelator that forms strong, stable complexes with various radiometals through its three acetic acid arms and nitrogen-rich macrocyclic ring. The compound does not have a biological target but rather functions as a metal-chelating agent for the development of radiopharmaceuticals and molecular imaging probes. Its chelation properties enable the stable coordination of radiometals for PET imaging applications.
ln Vitro
NOTA is a bifunctional chelate that acts as a framework to construct PET imaging tools. It forms stable complexes with radiometals including gallium-68, copper-64, and indium-111. The compound can be used for probe design and signal amplification via the multivalent effect. NOTA is used in research on multiple myeloma, breast cancer, lymphoma, and myocardial infarction. Its strong and stable chelation properties make it valuable for the development of radiopharmaceuticals for diagnostic imaging.
ln Vivo
In vivo studies of NOTA are primarily related to its use as a chelator for radiopharmaceuticals in preclinical imaging studies. NOTA-conjugated probes labeled with radiometals such as ⁶⁸Ga or ⁶⁴Cu are administered to animal models for PET imaging. Biodistribution studies assess the uptake of NOTA-based probes in target tissues and organs. The compound's strong chelation properties ensure stable radiometal complexation in vivo, minimizing transchelation and improving imaging contrast.
Enzyme Assay
Non-cell-based assays for NOTA involve characterization of its metal chelation properties. Radiometal complexation efficiency is assessed by incubating NOTA with radiometals (e.g., ⁶⁸Ga, ⁶⁴Cu, ¹¹¹In) under various conditions (pH, temperature, time) and measuring complex formation by radio-TLC or radio-HPLC. Stability of the radiometal-NOTA complex is assessed in serum or buffer over time. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment.
Cell Assay
Cell-based assays for NOTA are typically performed using NOTA-conjugated probes rather than the free chelator. Cells expressing specific targets (e.g., cancer cell surface markers) are incubated with NOTA-conjugated targeting ligands labeled with radiometals. Cell binding, internalization, and retention are assessed by gamma counting or autoradiography. Cytotoxicity of NOTA-based probes is assessed using standard cell viability assays.
Animal Protocol
In vivo studies of NOTA are conducted in animal models for preclinical PET imaging. NOTA-conjugated probes labeled with radiometals are administered intravenously to mice or rats. PET imaging is performed at various time points to assess probe biodistribution and target engagement. Ex vivo biodistribution studies are conducted by dissecting tissues and measuring radioactivity by gamma counting. Pharmacokinetic parameters are determined from blood samples collected at various time points.
ADME/Pharmacokinetics
NOTA has a molecular formula of C₁₂H₂₁N₃O₆ and a molecular weight of approximately 303.31 g/mol. The CAS number is 56491-86-2. It is also known as 1,4,7-triazacyclononane-1,4,7-triacetic acid. The compound is a bifunctional chelator with three acetic acid arms and a nitrogen-rich macrocyclic ring. It should be stored under recommended conditions. It is intended for research use only.
Toxicity/Toxicokinetics
Specific toxicity data for NOTA are limited. As a chelating agent, it may deplete essential metal ions at high concentrations. The compound is intended for research use only and is not for human therapeutic use. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment.
References
[1]. Singh AN, et al. Multivalent bifunctional chelator scaffolds for gallium-68 based positron emission tomography imaging probe design: signal amplification via multivalency. Bioconjug Chem. 2011;22(8):1650-1662.
[2]. Liao AH, et al. Evaluation of 18F-labeled targeted perfluorocarbon-filled albumin microbubbles as a probe for microUS and microPET in tumor-bearing mice. Ultrasonics. 2013;53(2):320-327.
Additional Infomation
The structure given in the first document
NOTA (1,4,7-triazacyclononane-1,4,7-triacetic acid) is a bifunctional chelating agent widely used in radiochemistry and molecular imaging. Its three acetic acid arms and nitrogen-rich macrocyclic ring enable strong, stable complexation with radiometals such as gallium-68, copper-64, and indium-111. NOTA acts as a framework to construct PET imaging tools and can be used for probe design and signal amplification via the multivalent effect. It is used in research on multiple myeloma, breast cancer, lymphoma, and myocardial infarction. The compound is for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H21N3O6
Molecular Weight
303.31
Exact Mass
303.143
CAS #
56491-86-2
PubChem CID
124326
Appearance
White to off-white solid powder
Density
1.321g/cm3
Boiling Point
572.9ºC at 760 mmHg
Flash Point
300.3ºC
Index of Refraction
1.531
LogP
-7.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
6
Heavy Atom Count
21
Complexity
320
Defined Atom Stereocenter Count
0
SMILES
C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O
InChi Key
JHALWMSZGCVVEM-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)
Chemical Name
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
H2O: 125 mg/mL (412.12 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 100 mg/mL (329.70 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.2970 mL 16.4848 mL 32.9696 mL
5 mM 0.6594 mL 3.2970 mL 6.5939 mL
10 mM 0.3297 mL 1.6485 mL 3.2970 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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