gallium(3+) ion trinitrate

• ChemBase ID: 4409
• Molecular Formular: GaH3N3O9
• Molecular Mass: 258.76152
• Monoisotopic Mass: 257.91250169
• SMILES: [GaH3+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[GaH3+3]
• InChI: InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1
• InChIKey: CHPZKNULDCNCBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: gallium(3+) ion trinitrate; gallium(3+) ion tris(nitrooxidane)
• IUPAC Traditional name: gallium(3+) ion trinitrate; gallium(3+) ion trinitronate
• Brand Name: Ganite
• Synonyms: Gallium(III) nitrate solution; Gallium nitrate; Gallium(III) nitrate; Nitric acid; gallium salt; 硝酸镓(III)溶液

Database IDs

• CAS Number: 13494-90-1; 69365-72-6
• EC Number: 236-815-5
• MDL Number: MFCD00011016
• PubChem SID: 160967841; 46508923
• PubChem CID: 61635
• CHEMBL: 1200983
• Wikipedia Title: Gallium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• European Hazard Symbols: Corrosive (C); Oxidising (O); Irritant (Xi)
• UN Number: UN3218
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 8-35; R8 R36/37/38
• Safety Statements: 23-26-36-45; S17 S26
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS05
• GHS Hazard statements: H272-H314-H318
• GHS Precautionary statements: P221-P210-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: Ga 9-10% w/w

DETAILS

MP Biomedicals - 05209147

MP Biomedicals Rare Chemical collection

DrugBank - DB05260

• Drug Groups: approved; investigational
• Description: Gallium nitrate is a drug that is used to treat hyper-calcemia, or too much calcium in the blood. This condition may occur when individuals develop various types of cancer. Gallium nitrate is also known by the common brand name Ganite.
• Indication: For the treatment of hypercalcemia. Also intended for the treatment of non-hodgkin's lymphoma.
• Pharmacology: Gallium nitrate exerts hypocalcemic effect by inhibiting calcium resorption from bone, possibly by stabilizing bone matrix, thereby reducing increased bone turnover. Gallium nitrate inhibits the growth of various lymphoma cell lines in vitro and exhibits antitumor activity in patients with lymphoma. The mechanism(s) of cytotoxicity is (are) only partly understood but appears to involve a two-step process: (1) targeting of gallium to cells, and (2) acting on multiple, specific intracellular processes. Gallium shares certain chemical properties with iron; therefore, it binds avidly to the iron transport protein transferrin. Transferrin-gallium complexes preferentially target cells that express transferrin receptors on their surface. Expression of transferrin receptors is particularly high on lymphoma cells. Cellular uptake of the gallium-transferrin complex leads to inhibition of cellular proliferation primarily via disruption of iron transport and homeostasis and blockade of ribonucleotide reductase. Recent studies have shown that cellular uptake of gallium leads to activation of caspases and induction of apoptosis. In phase II trials in patients with relapsed or refractory lymphoma, the antitumor activity of gallium nitrate is similar to, or better than, that of other commonly used chemotherapeutic agents.
• Affected Organisms: Humans and other mammals
• Half Life: Alpha: 1 hour. Beta: 24 hours, but lengthens to 72 to 115 hours with prolonged intravenous infusion.
• Elimination: Gallium nitrate is not metabolized either by the liver or the kidney and appears to be significantly excreted via the kidney.
• Clearance: * 0.15 L/hr/kg [cancer patients receiving daily infusion of gallium nitrate at a dose of 200 mg/m2 for 5 or 7 days]
• References: Yang M, Kroft SH, Chitambar CR: Gene expression analysis of gallium-resistant and gallium-sensitive lymphoma cells reveals a role for metal-responsive transcription factor-1, metallothionein-2A, and zinc transporter-1 in modulating the antineoplastic activity of gallium nitrate. Mol Cancer Ther. 2007 Feb;6(2):633-43. [Pubmed] ; Leyland-Jones B: Treating cancer-related hypercalcemia with gallium nitrate. J Support Oncol. 2004 Nov-Dec;2(6):509-16. [Pubmed] ; Chitambar CR: Apoptotic mechanisms of gallium nitrate: basic and clinical investigations. Oncology (Williston Park). 2004 Nov;18(13 Suppl 10):39-44. [Pubmed] ; Cvitkovic F, Armand JP, Tubiana-Hulin M, Rossi JF, Warrell RP Jr: Randomized, double-blind, phase II trial of gallium nitrate compared with pamidronate for acute control of cancer-related hypercalcemia. Cancer J. 2006 Jan-Feb;12(1):47-53. [Pubmed]
• External Links: Drugs.com

REFERENCES

• Yang M, Kroft SH, Chitambar CR: Gene expression analysis of gallium-resistant and gallium-sensitive lymphoma cells reveals a role for metal-responsive transcription factor-1, metallothionein-2A, and zinc transporter-1 in modulating the antineoplastic activity of gallium nitrate. Mol Cancer Ther. 2007 Feb;6(2):633-43. Pubmed
• Leyland-Jones B: Treating cancer-related hypercalcemia with gallium nitrate. J Support Oncol. 2004 Nov-Dec;2(6):509-16. Pubmed
• Chitambar CR: Apoptotic mechanisms of gallium nitrate: basic and clinical investigations. Oncology (Williston Park). 2004 Nov;18(13 Suppl 10):39-44. Pubmed
• Cvitkovic F, Armand JP, Tubiana-Hulin M, Rossi JF, Warrell RP Jr: Randomized, double-blind, phase II trial of gallium nitrate compared with pamidronate for acute control of cancer-related hypercalcemia. Cancer J. 2006 Jan-Feb;12(1):47-53. Pubmed