Aluminum
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Basic Info
| Common Name | Aluminum(F03417) |
| 2D Structure | |
| Description | Aluminium is a soft, lightweight metal with appearance ranging from silvery to dull gray, depending on the surface roughness. Data indicate that aluminum contaminates much of the raw material used to manufacture solutions used for intravenous nutritional support of hospitalized and ambulatory patients, and that pharmaceutical manufacturers have only recently obtained the technology necessary to detect aluminum contamination of their products. As a result, aluminum bypassed normal barriers and entered the blood, accumulating in tissues such as bone, liver and the central nervous system with toxic consequences. Now that the FDA has finally issued a rule governing aluminum contamination in these solutions, manufacturers will need to develop methods to minimize such contamination; scientists should also realize that when data they obtain indicate a serious problem in the manufacturing sector they should be sure that the problem is properly addressed. Physiologically, this metal/element. exists as an ion in the body. (A7725). |
| FRCD ID | F03417 |
| CAS Number | 7429-90-5 |
| PubChem CID | 5359268 |
| Formula | Al |
| IUPAC Name | aluminum |
| InChI Key | XAGFODPZIPBFFR-UHFFFAOYSA-N |
| InChI | InChI=1S/Al |
| Canonical SMILES | [Al] |
| Isomeric SMILES | [Al] |
| Wikipedia | Aluminum |
| Synonyms |
Adom
Aluminum
Aluminium
7429-90-5
Aluminum metal
Aluminum powder
aluminio
Aluminum 27
Metana
Alumina fibre
|
| Classifies |
Metal
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous metal compounds |
| Class | Homogeneous post-transition metal compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous post-transition metal compounds |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Homogeneous post-transition metal |
| Description | This compound belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 26.982 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 26.982 |
| Exact Mass | 26.982 |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9733 |
| Human Intestinal Absorption | HIA+ | 0.9838 |
| Caco-2 Permeability | Caco2+ | 0.7354 |
| P-glycoprotein Substrate | Non-substrate | 0.8810 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9787 |
| Non-inhibitor | 0.9858 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9108 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5856 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8305 |
| CYP450 2D6 Substrate | Non-substrate | 0.8255 |
| CYP450 3A4 Substrate | Non-substrate | 0.8145 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8813 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9392 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9716 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9571 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9855 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8820 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9547 |
| Non-inhibitor | 0.9746 | |
| AMES Toxicity | Non AMES toxic | 0.9633 |
| Carcinogens | Carcinogens | 0.6640 |
| Fish Toxicity | Low FHMT | 0.6181 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.6631 |
| Honey Bee Toxicity | High HBT | 0.8213 |
| Biodegradation | Ready biodegradable | 0.7326 |
| Acute Oral Toxicity | III | 0.5846 |
| Carcinogenicity (Three-class) | Warning | 0.4769 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.0958 | LogS |
| Caco-2 Permeability | 1.6017 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.0135 | LD50, mol/kg |
| Fish Toxicity | 1.5413 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.7156 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Detection and characterisation of aluminium-containing nanoparticles in Chinesenoodles by single particle ICP-MS. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018Jan | 28934065 |
| The role of transposable elements in the evolution of aluminum resistance in plants. | J Exp Bot | 2018 Oct 16 | 30325439 |
| Improving the stability of recombinant anthrax protective antigen vaccine. | Vaccine | 2018 Oct 15 | 30228030 |
| The bivalve Ruditapes decussatus: A biomonitor of trace elements pollution in Sardinian coastal lagoons (Italy). | Environ Pollut | 2018 Nov | 30064872 |
| Analysis and Risk Assessment of Seven Toxic Element Residues in Raw Bovine Milk in China. | Biol Trace Elem Res | 2018 May | 28825229 |
| Uptake kinetics of pesticides chlorpyrifos and tebuconazole in the earthworm Eisenia andrei in two different soils. | Environ Pollut | 2018 May | 29414347 |
| Combined Subchronic Toxicity of Aluminum (III), Titanium (IV) and Silicon (IV) Oxide Nanoparticles and Its Alleviation with a Complex of Bioprotectors. | Int J Mol Sci | 2018 Mar 13 | 29534019 |
| Status and interrelationship of toenail elements in Pacific children. | J Trace Elem Med Biol | 2018 Mar | 29413098 |
| Effects of feeding bentonite clay upon ochratoxin A-induced immunosuppression in broiler chicks. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018 Mar | 29210610 |
| A New Barley Stripe Mosaic Virus Allows Large Protein Overexpression for RapidFunction Analysis. | Plant Physiol | 2018 Mar | 29269575 |
| Behavioral effects of long-term oral administration of aluminum ammonium sulfate in male and female C57BL/6J mice. | Neuropsychopharmacol Rep | 2018 Mar | 30106265 |
| [Assessment on exposure of dietary aluminium among residents in Shaanxi Province during 2013-2015]. | Wei Sheng Yan Jiu | 2018 Mar | 29903289 |
| Levels of Toxic Elements in Tea Brands Commercialized in Egypt Using OptimizedDual-Pulsed Laser-Induced Spectral Analysis Spectrometer. | Biol Trace Elem Res | 2018 Jun 6 | 29876796 |
| Is aluminum exposure a risk factor for neurological disorders? | J Res Med Sci | 2018 Jun 6 | 30057635 |
| Converting environmental risks to benefits by using spent coffee grounds (SCG) asa valuable resource. | Environ Sci Pollut Res Int | 2018 Jun 2 | 29860699 |
| Nanoemulsion adjuvant-driven redirection of T<sub>H</sub>2 immunity inhibits allergic reactions in murine models of peanut allergy. | J Allergy Clin Immunol | 2018 Jun | 29655584 |
| Aluminium in foodstuff and the influence of aluminium foil used for foodpreparation or short time storage. | Food Addit Contam Part B Surveill | 2018 Jun | 29486656 |
| Detoxification of polluted marine sediments using water treatment sludge. | J Environ Sci Health A Tox Hazard Subst Environ Eng | 2018 Jul 3 | 29517406 |
| Inhibiting effects of common trivalent metal ions on transmembrane-type 2 matrix metalloproteinase. | Int J Biol Macromol | 2018 Jul 24 | 30048727 |
| Release of aluminium and thallium ions from uncoated food contact materials made of aluminium alloys into food and food simulant. | PLoS One | 2018 Jul 23 | 30036389 |
Targets
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Glandular kallikreins cleave Met-Lys and Arg-Ser bonds in kininogen to release Lys-bradykinin.
- Gene Name:
- KLK1
- Uniprot ID:
- P06870
- Molecular Weight:
- 28889.425 Da
References
- De Sousa MO, Santoro MM, De Souza Figueiredo AF: The effect of cations on the amidase activity of human tissue kallikrein: 1-linear competitive inhibition by sodium, potassium, calcium and magnesium. 2-linear mixed inhibition by aluminium. J Enzyme Inhib Med Chem. 2004 Aug;19(4):317-25. [15558947 ]
- General Function:
- Transferrin receptor binding
- Specific Function:
- Transferrins are iron binding transport proteins which can bind two Fe(3+) ions in association with the binding of an anion, usually bicarbonate. It is responsible for the transport of iron from sites of absorption and heme degradation to those of storage and utilization. Serum transferrin may also have a further role in stimulating cell proliferation.
- Gene Name:
- TF
- Uniprot ID:
- P02787
- Molecular Weight:
- 77063.195 Da
References
- Nolte E, Beck E, Winklhofer C, Steinhausen C: Compartmental model for aluminium biokinetics. Hum Exp Toxicol. 2001 Feb;20(2):111-7. [11327511 ]
- General Function:
- Steroid hormone binding
- Specific Function:
- This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.
- Gene Name:
- ATP1A1
- Uniprot ID:
- P05023
- Molecular Weight:
- 112895.01 Da
References
- Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [11752352 ]
- General Function:
- Zinc ion binding
- Specific Function:
- Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Ligand-dependent nuclear transactivation involves either direct homodimer binding to a palindromic estrogen response element (ERE) sequence or association with other DNA-binding transcription factors, such as AP-1/c-Jun, c-Fos, ATF-2, Sp1 and Sp3, to mediate ERE-independent signaling. Ligand binding induces a conformational change allowing subsequent or combinatorial association with multiprotein coactivator complexes through LXXLL motifs of their respective components. Mutual transrepression occurs between the estrogen receptor (ER) and NF-kappa-B in a cell-type specific manner. Decreases NF-kappa-B DNA-binding activity and inhibits NF-kappa-B-mediated transcription from the IL6 promoter and displace RELA/p65 and associated coregulators from the promoter. Recruited to the NF-kappa-B response element of the CCL2 and IL8 promoters and can displace CREBBP. Present with NF-kappa-B components RELA/p65 and NFKB1/p50 on ERE sequences. Can also act synergistically with NF-kappa-B to activate transcription involving respective recruitment adjacent response elements; the function involves CREBBP. Can activate the transcriptional activity of TFF1. Also mediates membrane-initiated estrogen signaling involving various kinase cascades. Isoform 3 is involved in activation of NOS3 and endothelial nitric oxide production. Isoforms lacking one or several functional domains are thought to modulate transcriptional activity by competitive ligand or DNA binding and/or heterodimerization with the full length receptor. Essential for MTA1-mediated transcriptional regulation of BRCA1 and BCAS3. Isoform 3 can bind to ERE and inhibit isoform 1.
- Gene Name:
- ESR1
- Uniprot ID:
- P03372
- Molecular Weight:
- 66215.45 Da
- Mechanism of Action:
- Aluminum can also interact with estrogen receptors, increasing the expression of estrogen-related genes and contributing to the progression of breast cancer.
References
- Darbre PD: Metalloestrogens: an emerging class of inorganic xenoestrogens with potential to add to the oestrogenic burden of the human breast. J Appl Toxicol. 2006 May-Jun;26(3):191-7. [16489580 ]
- General Function:
- Transcription factor binding
- Specific Function:
- As the sensor component of the NLRP3 inflammasome, plays a crucial role in innate immunity and inflammation. In response to pathogens and other damage-associated signals, initiates the formation of the inflammasome polymeric complex, made of NLRP3, PYCARD and CASP1 (and possibly CASP4 and CASP5). Recruitement of proCASP1 to the inflammasome promotes its activation and CASP1-catalyzed IL1B and IL18 maturation and secretion in the extracellular milieu. Activation of NLRP3 inflammasome is also required for HMGB1 secretion (PubMed:22801494). The active cytokines and HMGB1 stimulate inflammatory responses. Inflammasomes can also induce pyroptosis, an inflammatory form of programmed cell death. Under resting conditions, NLRP3 is autoinhibited. NLRP3 activation stimuli include extracellular ATP, reactive oxygen species, K(+) efflux, crystals of monosodium urate or cholesterol, beta-amyloid fibers, environmental or industrial particles and nanoparticles, etc. However, it is unclear what constitutes the direct NLRP3 activator. Independently of inflammasome activation, regulates the differentiation of T helper 2 (Th2) cells and has a role in Th2 cell-dependent asthma and tumor growth (By similarity). During Th2 differentiation, required for optimal IRF4 binding to IL4 promoter and for IRF4-dependent IL4 transcription. Binds to the consensus DNA sequence 5'-GRRGGNRGAG-3'. May also participate in the transcription of IL5, IL13, GATA3, CCR3, CCR4 and MAF (By similarity).
- Gene Name:
- NLRP3
- Uniprot ID:
- Q96P20
- Molecular Weight:
- 118171.375 Da
- Mechanism of Action:
- Certain aluminum salts induce immune responses by activating the NALP3 inflammasome, which in turn induces the production of interleukins.
References
- Aimanianda V, Haensler J, Lacroix-Desmazes S, Kaveri SV, Bayry J: Novel cellular and molecular mechanisms of induction of immune responses by aluminum adjuvants. Trends Pharmacol Sci. 2009 Jun;30(6):287-95. doi: 10.1016/j.tips.2009.03.005. Epub 2009 May 11. [19439372 ]