Identification

Name
Aluminium
Accession Number
DB01370  (DB11314)
Type
Small Molecule
Groups
Approved, Investigational
Description

A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.

Structure
Thumb
Synonyms
  • Al
  • Aluminio
  • Aluminium
  • Aluminium atom
  • Aluminium metallicum
  • Aluminum
  • Aluminum metal
  • Aluminum powder
  • Metallic aluminum
External IDs
C.I. 77000 / CI 77000 / E-173 / INS NO.173 / INS-173
Categories
UNII
CPD4NFA903
CAS number
7429-90-5
Weight
Average: 26.9815
Monoisotopic: 26.981538441
Chemical Formula
Al
InChI Key
XAGFODPZIPBFFR-UHFFFAOYSA-N
InChI
InChI=1S/Al
IUPAC Name
alumane
SMILES
[Al]

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action

Aluminum Acetate is an astringent. An astrignent is a chemical that tends to shrink or constrict body tissues, usually locally after topical medicinal application. The shrinkage or constriction is through osmotic flow of water (or other fluids) away from the area where the astringent was applied. Astringent medicines cause shrinkage of mucous membranes or exposed tissues and are often used internally to check discharge of blood serum or mucous secretions. This can happen with a sore throat, hemorrhages, diarrhea, or with peptic ulcers. Externally applied astringents, which cause mild coagulation of skin proteins, dry, harden, and protect the skin. Acne sufferers are often advised to use astringents if they have oily skin. Astringents also help heal stretch marks and other scars. Mild astringent solutions are used in the relief of such minor skin irritations as those resulting from superficial cuts, allergies, insect bites, or fungal infections such as athlete's foot.

TargetActionsOrganism
USerotransferrinNot AvailableHuman
USodium/potassium-transporting ATPase subunit alpha-1
binder
Human
UKallikrein-1
inhibitor
Human
UAmyloid beta A4 proteinNot AvailableHuman
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidAluminium can cause a decrease in the absorption of 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
2,5-Dimethoxy-4-ethylamphetamineAluminium may decrease the excretion rate of 2,5-Dimethoxy-4-ethylamphetamine which could result in a higher serum level.
2,5-Dimethoxy-4-ethylthioamphetamineAluminium may decrease the excretion rate of 2,5-Dimethoxy-4-ethylthioamphetamine which could result in a higher serum level.
3-Aza-2,3-Dihydrogeranyl DiphosphateAluminium can cause a decrease in the absorption of 3-Aza-2,3-Dihydrogeranyl Diphosphate resulting in a reduced serum concentration and potentially a decrease in efficacy.
3,4-MethylenedioxyamphetamineAluminium may decrease the excretion rate of 3,4-Methylenedioxyamphetamine which could result in a higher serum level.
4-Bromo-2,5-dimethoxyamphetamineAluminium may decrease the excretion rate of 4-Bromo-2,5-dimethoxyamphetamine which could result in a higher serum level.
AbafunginAluminium can cause a decrease in the absorption of Abafungin resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcepromazineAluminium can cause a decrease in the absorption of Acepromazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
AceprometazineAluminium can cause a decrease in the absorption of Aceprometazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetaminophenAluminium can cause a decrease in the absorption of Acetaminophen resulting in a reduced serum concentration and potentially a decrease in efficacy.
Food Interactions
Not Available

References

Synthesis Reference

Bela Czegledi, Mihaly Csovari, Miklos Erdelyi, Lajos Streker, Istvan Toth, Katalin Szabo nee Mogyorosi, Szilard Riederauer, Geza Szentgyorgyi, "Process for producing alumina and ferric oxide from aluminium carriers with high iron and silicon content." U.S. Patent US4366129, issued 1876.

US4366129
General References
Not Available
External Links
Human Metabolome Database
HMDB0001247
KEGG Compound
C06264
PubChem Compound
5359268
PubChem Substance
46504765
ChemSpider
4514248
ChEBI
28984
Therapeutic Targets Database
DAP000467
PharmGKB
PA164760864
Wikipedia
Aluminium

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingPreventionCondylomata Acuminata1
1CompletedPreventionPlasmodium Falciparum Malaria1
2CompletedPreventionPost-Operative Nausea and Vomiting (PONV)1
2Not Yet RecruitingTreatmentMalaria caused by plasmodium vivax1
2Unknown StatusDiagnosticDermatitis, Contact1
3CompletedPreventionPlasmodium Infections1
3CompletedTreatmentFevers / Plasmodium Infections1
3CompletedTreatmentMalaria in Pregnancy1
3TerminatedTreatmentRadiation-induced Oesophagitis1
4CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Malaria caused by Plasmodium falciparum1
4CompletedTreatmentMalaria caused by Plasmodium falciparum1
4CompletedTreatmentPlasmodium Infections1
4TerminatedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Plasmodium Infections1
4Unknown StatusTreatmentUncomplicated Falciparum Malaria1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)2.375 g·cm −3Not Available
Predicted Properties
PropertyValueSource
logP1.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m3·mol-1ChemAxon
Polarizability1.78 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9838
Blood Brain Barrier+0.9733
Caco-2 permeable+0.7354
P-glycoprotein substrateNon-substrate0.881
P-glycoprotein inhibitor INon-inhibitor0.9787
P-glycoprotein inhibitor IINon-inhibitor0.9858
Renal organic cation transporterNon-inhibitor0.9108
CYP450 2C9 substrateNon-substrate0.8305
CYP450 2D6 substrateNon-substrate0.8255
CYP450 3A4 substrateNon-substrate0.8145
CYP450 1A2 substrateNon-inhibitor0.8813
CYP450 2C9 inhibitorNon-inhibitor0.9392
CYP450 2D6 inhibitorNon-inhibitor0.9716
CYP450 2C19 inhibitorNon-inhibitor0.9571
CYP450 3A4 inhibitorNon-inhibitor0.9855
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.882
Ames testNon AMES toxic0.9633
CarcinogenicityCarcinogens 0.664
BiodegradationReady biodegradable0.7326
Rat acute toxicity2.0135 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9547
hERG inhibition (predictor II)Non-inhibitor0.9746
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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.
Kingdom
Inorganic compounds
Super Class
Homogeneous metal compounds
Class
Homogeneous post-transition metal compounds
Sub Class
Not Available
Direct Parent
Homogeneous post-transition metal compounds
Alternative Parents
Not Available
Substituents
Homogeneous post-transition metal
Molecular Framework
Not Available
External Descriptors
elemental aluminium (CHEBI:33629)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
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 si...
Gene Name
TF
Uniprot ID
P02787
Uniprot Name
Serotransferrin
Molecular Weight
77063.195 Da
References
  1. Nolte E, Beck E, Winklhofer C, Steinhausen C: Compartmental model for aluminium biokinetics. Hum Exp Toxicol. 2001 Feb;20(2):111-7. [PubMed:11327511]
  2. Nagaoka MH, Maitani T: Binding affinity of aluminium to human serum transferrin and effects of carbohydrate chain modification as studied by HPLC/high-resolution ICP-MS--speciation of aluminium in human serum. J Inorg Biochem. 2005 Sep;99(9):1887-94. [PubMed:16139893]
  3. Mizutani K, Mikami B, Aibara S, Hirose M: Structure of aluminium-bound ovotransferrin at 2.15 Angstroms resolution. Acta Crystallogr D Biol Crystallogr. 2005 Dec;61(Pt 12):1636-42. Epub 2005 Nov 19. [PubMed:16301797]
  4. Beardmore J, Rugg G, Exley C: A systems biology approach to the blood-aluminium problem: the application and testing of a computational model. J Inorg Biochem. 2007 Sep;101(9):1187-91. Epub 2007 Jun 12. [PubMed:17629565]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Binder
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 th...
Gene Name
ATP1A1
Uniprot ID
P05023
Uniprot Name
Sodium/potassium-transporting ATPase subunit alpha-1
Molecular Weight
112895.01 Da
References
  1. Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41. [PubMed:11509182]
  2. Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50. [PubMed:14507470]
  3. Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33. [PubMed:15111247]
  4. Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82. [PubMed:15254985]
  5. Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7. [PubMed:15651920]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Inhibitor
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
Uniprot Name
Kallikrein-1
Molecular Weight
28889.425 Da
References
  1. 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. [PubMed:15558947]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Transition metal ion binding
Specific Function
Functions as a cell surface receptor and performs physiological functions on the surface of neurons relevant to neurite growth, neuronal adhesion and axonogenesis. Involved in cell mobility and tra...
Gene Name
APP
Uniprot ID
P05067
Uniprot Name
Amyloid beta A4 protein
Molecular Weight
86942.715 Da
References
  1. Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30. [PubMed:16942756]

Carriers

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Toxic substance binding
Specific Function
Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloid...
Gene Name
ALB
Uniprot ID
P02768
Uniprot Name
Serum albumin
Molecular Weight
69365.94 Da
References
  1. Zatta P, Dalla Via L, Di Noto V: Binding studies on aluminum(III)-albumin interaction. Arch Biochem Biophys. 2003 Sep 1;417(1):59-64. [PubMed:12921780]

Drug created on July 06, 2007 14:27 / Updated on November 02, 2018 05:00