gallium(3+) ion trinitrate

• ChemBase编号: 4409
• 分子式: GaH3N3O9
• 平均质量: 258.76152
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: gallium(3+) ion trinitrate; gallium(3+) ion tris(nitrooxidane)
• IUPAC传统名: gallium(3+) ion trinitrate; gallium(3+) ion trinitronate
• 商标名: Ganite
• 别名: 硝酸镓(III)溶液; Gallium(III) nitrate solution; Gallium nitrate; Gallium(III) nitrate; Nitric acid; gallium salt

登记号

• CAS号: 69365-72-6; 13494-90-1
• EC号: 236-815-5
• MDL号: MFCD00011016
• PubChem SID: 160967841; 46508923
• PubChem CID: 61635
• CHEMBL: 1200983
• 维基百科标题: Gallium_nitrate

理论计算性质

• Acid pKa: -1.3999903
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• 摩尔折射率: 8.3471 cm^3
• 极化性: 3.4222581 Å^3
• 极化表面积: 66.2 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 氧化性(Oxidising) (O); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3218
• 联合国危险货物等级: 5.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 8-35; R8 R36/37/38
• 安全公开号: 23-26-36-45; S17 S26
• TSCA收录: 是
• GHS危险品标识: GHS03; GHS05
• GHS危险声明: H272-H314-H318
• GHS警示性声明: P221-P210-P303+P361+P353-P305+P351+P338-P405-P501A

产品相关信息

• 纯度: Ga 9-10% w/w

详细说明

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

参考文献

• 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