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.

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)

Biological Activity

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.

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.