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Showing toxin card for Aloglutamol (T3D1489)

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Version 1.0
Creation Date 2009-06-19 21:58:51
Update Date 2010-03-18 21:54:29
Accession Number T3D1489
Name Aloglutamol
Compound Type
  • Aluminum Compound
  • Organic Compound
  • Organometallic
Description Aloglutamol is an antacid. It is a salt of aluminium, gluconic acid, and tris. Aluminum is the most abundant metal in the earth's crust and is always found combined with other elements such as oxygen, silicon, and fluorine. (R1128, R1129, S000)
Synonyms Not Available
Chemical IUPAC Name 2-amino-2-(hydroxymethyl)propane-1,3-diol; dihydroxyalumanyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Chemical Formula C10H24AlNO12
Chemical Structure Structure
CAS Registry Number 13755-41-4
InChI Identifier InChI=1S/C6H12O7.C4H11NO3.Al.2H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;5-4(1-6,2-7)3-8;;;/h2-5,7-11H,1H2,(H,12,13);6-8H,1-3,5H2;;2*1H2/q;;+3;;/p-3
InChI Key InChIKey=GJJYZOBRHIMORS-UHFFFAOYSA-K
PubChem Compound ID Not Available
KEGG ID Not Available
UniProt ID Not Available
OMIM ID Not Available
ChEBI ID Not Available
BioCyc ID Not Available
SuperToxic ID Not Available
CTD ID C012712 Link Image
Stitch ID Aloglutamol Link Image
DrugBank ID Not Available
PDB ID Not Available
ACToR ID Not Available
Wikipedia Link Not Available
Monoisotopic Mass 377.111389
MOL File Show
PDB File Show
SDF File Show
SMILES NC(CO)(CO)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Al](O)O
Appearance Not Available
Melting Point Not Available
Solubility Not Available
Predicted LogP -4.3003
Route of Exposure Oral (R1128) ; inhalation (R1128)
Mechanism of Action The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. Aluminum can also interact with estrogen receptors, increasing the expression of estrogen-related genes and contributing to the progression of breast cancer. Certain aluminum salts induce immune responses by activating inflammasomes. (R1128, R1130, R1132)
Metabolism Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (R1128)
Toxicity Values Not Available
Lethal Dose Not Available
Carcinogenicity (IARC Classification) Not Available
Uses/Sources Aloglutamol is an antacid. (S000)
Minimum Risk Level Intermediate Oral: 1.0 mg/kg/day (R260) Chronic Oral: 1.0 mg/kg/day (R260)
Health Effects Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (R1128, R1129)
Symptoms Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (R1128, R1129)
Treatment Not Available
General References
  • R1132 - 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. Epub 2009 May 11. [PubMed Link Image]
  • R1130 - 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. [PubMed Link Image]
  • R1129 - Wikipedia. Aluminium. Last Updated 16 June 2009.
  • S000 - Wikipedia. Aloglutamol. Last Updated 20 March 2009.
  • R260 - ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA).
  • R1128 - ATSDR - Agency for Toxic Substances and Disease Registry (2008). Toxicological profile for aluminum. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA).
Targets
  1. Estrogen receptor
  2. NACHT, LRR and PYD domains-containing protein 3
  3. Phosphorus
Target 1 [top]
Target 1 ID 5
Target 1 Name Estrogen receptor
Target 1 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. (R1130)
Target 1 Description 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
Target 1 Synonyms
  1. ER; Estradiol receptor; ER-alpha; Nuclear receptor subfamily 3 group A member 1
Target 1 Gene Name ESR1
Target 1 Protein Sequence >Estrogen receptor
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Target 1 Number of Residues 595
Target 1 Molecular Weight 66215.4
Target 1 Theoretical pI 8.14
Target 1 GO Classification
Function
steroid binding
signal transducer activity
receptor activity
ligand-dependent nuclear receptor activity
steroid hormone receptor activity
binding
nucleic acid binding
DNA binding
transcription factor activity
Process
regulation of biological process
regulation of physiological process
regulation of metabolism
regulation of cellular metabolism
regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism
regulation of transcription
regulation of transcription, DNA-dependent
Component
organelle
membrane-bound organelle
intracellular membrane-bound organelle
nucleus
Target 1 General Function Involved in estrogen receptor activity
Target 1 Pathways Not Available
Target 1 Reactions Not Available
Target 1 Signals
  • None
Target 1 Transmembrane Regions
  • None
Target 1 Essentiality Non Essential
Target 1 Domain Function PF00104:Hormone_recep PF02159:Oest_recep PF00105:zf-C4
Target 1 GenBank ID Protein Not Available
Target 1 UniProtKB ID P03372 Link Image
Target 1 Cellular Location Nucleus
Target 1 Gene Sequence >63 bp
ATGCGCTGCGTCGCCTCTAACCTCGGGCTGTGCTCTTTTTCCAGGTGGCCCGCCGGTTTC
TGA
Target 1 GenBank Gene ID Not Available
Target 1 GeneCard ID ESR1 Link Image
Target 1 GenAtlas ID ESR1 Link Image
Target 1 HGNC ID HGNC:3467 Link Image
Target 1 Chromosome Location Not Available
Target 1 Locus 6q25.1
Target 1 SNPs SNPJam Report Link Image
Target 1 Toxin References
  • R1130 - 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. [PubMed Link Image]
Target 1 General References 3754034; 3753802; 8600466; 14574404; 7476978; 10619354; 7916651; 7539106
Target 2 [top]
Target 2 ID 693
Target 2 Name NACHT, LRR and PYD domains-containing protein 3
Target 2 Mechanism of Action Certain aluminum salts induce immune responses by activating the NALP3 inflammasome, which in turn induces the production of interleukins. (R1132)
Target 2 Description May function as an inducer of apoptosis. Interacts selectively with ASC and this complex may function as an upstream activator of NF-kappa-B signaling. Inhibits TNF-alpha induced activation and nuclear translocation of RELA/NF-KB p65. Also inhibits transcriptional activity of RELA. Activates caspase-1 in response to a number of triggers including bacterial or viral infection which leads to processing and release of IL1B and IL18
Target 2 Synonyms
  1. Cold autoinflammatory syndrome 1 protein; Cryopyrin; PYRIN-containing APAF1-like protein 1; Angiotensin/vasopressin receptor AII/AVP-like
Target 2 Gene Name NLRP3
Target 2 Protein Sequence >NACHT, LRR and PYD domains-containing protein 3
MASTRCKLARYLEDLEDVDLKKFKMHLEDYPPQKGCIPLPRGQTEKADHVDLATLMIDFN
GEEKAWAMAVWIFAAINRRDLYEKAKRDEPKWGSDNARVSNPTVICQEDSIEEEWMGLLE
YLSRISICKMKKDYRKKYRKYVRSRFQCIEDRNARLGESVSLNKRYTRLRLIKEHRSQQE
REQELLAIGKTKTCESPVSPIKMELLFDPDDEHSEPVHTVVFQGAAGIGKTILARKMMLD
WASGTLYQDRFDYLFYIHCREVSLVTQRSLGDLIMSCCPDPNPPIHKIVRKPSRILFLMD
GFDELQGAFDEHIGPLCTDWQKAERGDILLSSLIRKKLLPEASLLITTRPVALEKLQHLL
DHPRHVEILGFSEAKRKEYFFKYFSDEAQARAAFSLIQENEVLFTMCFIPLVCWIVCTGL
KQQMESGKSLAQTSKTTTAVYVFFLSSLLQPRGGSQEHGLCAHLWGLCSLAADGIWNQKI
LFEESDLRNHGLQKADVSAFLRMNLFQKEVDCEKFYSFIHMTFQEFFAAMYYLLEEEKEG
RTNVPGSRLKLPSRDVTVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKISQ
QIRLELLKWIEVKAKAKKLQIQPSQLELFYCLYEMQEEDFVQRAMDYFPKIEINLSTRMD
HMVSSFCIENCHRVESLSLGFLHNMPKEEEEEEKEGRHLDMVQCVLPSSSHAACSHGLVN
SHLTSSFCRGLFSVLSTSQSLTELDLSDNSLGDPGMRVLCETLQHPGCNIRRLWLGRCGL
SHECCFDISLVLSSNQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLKKLWLVSCCLTSA
CCQDLASVLSTSHSLTRLYVGENALGDSGVAILCEKAKNPQCNLQKLGLVNSGLTSVCCS
ALSSVLSTNQNLTHLYLRGNTLGDKGIKLLCEGLLHPDCKLQVLELDNCNLTSHCCWDLS
TLLTSSQSLRKLSLGNNDLGDLGVMMFCEVLKQQSCLLQNLGLSEMYFNYETKSALETLQ
EEKPELTVVFEPSW
Target 2 Number of Residues 1034
Target 2 Molecular Weight 117912.0
Target 2 Theoretical pI 6.58
Target 2 GO Classification
Function
Not Available
Process
Not Available
Component
Not Available
Target 2 General Function Involved in ATP binding
Target 2 Pathways Not Available
Target 2 Reactions Not Available
Target 2 Signals
  • None
Target 2 Transmembrane Regions
  • None
Target 2 Essentiality Non Essential
Target 2 Domain Function PF00560:LRR_1 PF05729:NACHT PF02758:PAAD_DAPIN
Target 2 GenBank ID Protein Not Available
Target 2 UniProtKB ID Q96P20 Link Image
Target 2 Cellular Location Cytoplasm
Target 2 Gene Sequence >3105 bp
ATGGCAAGCACCCGCTGCAAGCTGGCCAGGTACCTGGAGGACCTGGAGGATGTGGACTTG
AAGAAATTTAAGATGCACTTAGAGGACTATCCTCCCCAGAAGGGCTGCATCCCCCTCCCG
AGGGGTCAGACAGAGAAGGCAGACCATGTGGATCTAGCCACGCTAATGATCGACTTCAAT
GGGGAGGAGAAGGCGTGGGCCATGGCCGTGTGGATCTTCGCTGCGATCAACAGGAGAGAC
CTTTATGAGAAAGCAAAAAGAGATGAGCCGAAGTGGGGTTCAGATAATGCACGTGTTTCG
AATCCCACTGTGATATGCCAGGAAGACAGCATTGAAGAGGAGTGGATGGGTTTACTGGAG
TACCTTTCGAGAATCTCTATTTGTAAAATGAAGAAAGATTACCGTAAGAAGTACAGAAAG
TACGTGAGAAGCAGATTCCAGTGCATTGAAGACAGGAATGCCCGTCTGGGTGAGAGTGTG
AGCCTCAACAAACGCTACACACGACTGCGTCTCATCAAGGAGCACCGGAGCCAGCAGGAG
AGGGAGCAGGAGCTTCTGGCCATCGGCAAGACCAAGACGTGTGAGAGCCCCGTGAGTCCC
ATTAAGATGGAGTTGCTGTTTGACCCCGATGATGAGCATTCTGAGCCTGTGCACACCGTG
GTGTTCCAGGGGGCGGCAGGGATTGGGAAAACAATCCTGGCCAGGAAGATGATGTTGGAC
TGGGCGTCGGGGACACTCTACCAAGACAGGTTTGACTATCTGTTCTATATCCACTGTCGG
GAGGTGAGCCTTGTGACACAGAGGAGCCTGGGGGACCTGATCATGAGCTGCTGCCCCGAC
CCAAACCCACCCATCCACAAGATCGTGAGAAAACCCTCCAGAATCCTCTTCCTCATGGAC
GGCTTCGATGAGCTGCAAGGTGCCTTTGACGAGCACATAGGACCGCTCTGCACTGACTGG
CAGAAGGCCGAGCGGGGAGACATTCTCCTGAGCAGCCTCATCAGAAAGAAGCTGCTTCCC
GAGGCCTCTCTGCTCATCACCACGAGACCTGTGGCCCTGGAGAAACTGCAGCACTTGCTG
GACCATCCTCGGCATGTGGAGATCCTGGGTTTCTCCGAGGCCAAAAGGAAAGAGTACTTC
TTCAAGTACTTCTCTGATGAGGCCCAAGCCAGGGCAGCCTTCAGTCTGATTCAGGAGAAC
GAGGTCCTCTTCACCATGTGCTTCATCCCCCTGGTCTGCTGGATCGTGTGCACTGGACTG
AAACAGCAGATGGAGAGTGGCAAGAGCCTTGCCCAGACATCCAAGACCACCACCGCGGTG
TACGTCTTCTTCCTTTCCAGTTTGCTGCAGCCCCGGGGAGGGAGCCAGGAGCACGGCCTC
TGCGCCCACCTCTGGGGGCTCTGCTCTTTGGCTGCAGATGGAATCTGGAACCAGAAAATC
CTGTTTGAGGAGTCCGACCTCAGGAATCATGGACTGCAGAAGGCGGATGTGTCTGCTTTC
CTGAGGATGAACCTGTTCCAAAAGGAAGTGGACTGCGAGAAGTTCTACAGCTTCATCCAC
ATGACTTTCCAGGAGTTCTTTGCCGCCATGTACTACCTGCTGGAAGAGGAAAAGGAAGGA
AGGACGAACGTTCCAGGGAGTCGTTTGAAGCTTCCCAGCCGAGACGTGACAGTCCTTCTG
GAAAACTATGGCAAATTCGAAAAGGGGTATTTGATTTTTGTTGTACGTTTCCTCTTTGGC
CTGGTAAACCAGGAGAGGACCTCCTACTTGGAGAAGAAATTAAGTTGCAAGATCTCTCAG
CAAATCAGGCTGGAGCTGCTGAAATGGATTGAAGTGAAAGCCAAAGCTAAAAAGCTGCAG
ATCCAGCCCAGCCAGCTGGAATTGTTCTACTGTTTGTACGAGATGCAGGAGGAGGACTTC
GTGCAAAGGGCCATGGACTATTTCCCCAAGATTGAGATCAATCTCTCCACCAGAATGGAC
CACATGGTTTCTTCCTTTTGCATTGAGAACTGTCATCGGGTGGAGTCACTGTCCCTGGGG
TTTCTCCATAACATGCCCAAGGAGGAAGAGGAGGAGGAAAAGGAAGGCCGACACCTTGAT
ATGGTGCAGTGTGTCCTCCCAAGCTCCTCTCATGCTGCCTGTTCTCATGGATTGGTGAAC
AGCCACCTCACTTCCAGTTTTTGCCGGGGCCTCTTTTCAGTTCTGAGCACCAGCCAGAGT
CTAACTGAATTGGACCTCAGTGACAATTCTCTGGGGGACCCAGGGATGAGAGTGTTGTGT
GAAACGCTCCAGCATCCTGGCTGTAACATTCGGAGATTGTGGTTGGGGCGCTGTGGCCTC
TCGCATGAGTGCTGCTTCGACATCTCCTTGGTCCTCAGCAGCAACCAGAAGCTGGTGGAG
CTGGACCTGAGTGACAACGCCCTCGGTGACTTCGGAATCAGACTTCTGTGTGTGGGACTG
AAGCACCTGTTGTGCAATCTGAAGAAGCTCTGGTTGGTCAGCTGCTGCCTCACATCAGCA
TGTTGTCAGGATCTTGCATCAGTATTGAGCACCAGCCATTCCCTGACCAGACTCTATGTG
GGGGAGAATGCCTTGGGAGACTCAGGAGTCGCAATTTTATGTGAAAAAGCCAAGAATCCA
CAGTGTAACCTGCAGAAACTGGGGTTGGTGAATTCTGGCCTTACGTCAGTCTGTTGTTCA
GCTTTGTCCTCGGTACTCAGCACTAATCAGAATCTCACGCACCTTTACCTGCGAGGCAAC
ACTCTCGGAGACAAGGGGATCAAACTACTCTGTGAGGGACTCTTGCACCCCGACTGCAAG
CTTCAGGTGTTGGAATTAGACAACTGCAACCTCACGTCACACTGCTGCTGGGATCTTTCC
ACACTTCTGACCTCCAGCCAGAGCCTGCGAAAGCTGAGCCTGGGCAACAATGACCTGGGC
GACCTGGGGGTCATGATGTTCTGTGAAGTGCTGAAACAGCAGAGCTGCCTCCTGCAGAAC
CTGGGGTTGTCTGAAATGTATTTCAATTATGAGACAAAAAGTGCGTTAGAAACACTTCAA
GAAGAAAAGCCTGAGCTGACCGTCGTCTTTGAGCCTTCTTGGTAG
Target 2 GenBank Gene ID Not Available
Target 2 GeneCard ID NLRP3 Link Image
Target 2 GenAtlas ID NLRP3 Link Image
Target 2 HGNC ID HGNC:16400 Link Image
Target 2 Chromosome Location Not Available
Target 2 Locus 1q44
Target 2 SNPs SNPJam Report Link Image
Target 2 Toxin References
  • R1132 - 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. Epub 2009 May 11. [PubMed Link Image]
Target 2 General References 11687797; 12355493; 11786556; 14662828; 16710414; 15489334; 11042152; 15030775; 17164409
Target 3 [top]
Target 3 ID 692
Target 3 Name Phosphorus
Target 3 Mechanism of Action Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. (R1128)
Target 3 Description Not Available
Target 3 Synonyms Not Available
Target 3 Gene Name Not Available
Target 3 Protein Sequence Not Available
Target 3 Number of Residues Not Available
Target 3 Molecular Weight Not Available
Target 3 Theoretical pI Not Available
Target 3 GO Classification
Function
Not Available
Process
Not Available
Component
Not Available
Target 3 General Function Not Available
Target 3 Pathways Not Available
Target 3 Reactions Not Available
Target 3 Signals Not Available
Target 3 Transmembrane Regions Not Available
Target 3 Essentiality Not Available
Target 3 Domain Function Not Available
Target 3 GenBank ID Protein Not Available
Target 3 UniProtKB ID Phosphorus Link Image
Target 3 Cellular Location Not Available
Target 3 Gene Sequence Not Available
Target 3 GenBank Gene ID Not Available
Target 3 GeneCard ID Not Available
Target 3 GenAtlas ID Not Available
Target 3 HGNC ID Not Available
Target 3 Chromosome Location Not Available
Target 3 Locus Not Available
Target 3 SNPs Not Available
Target 3 Toxin References
  • R1128 - ATSDR - Agency for Toxic Substances and Disease Registry (2008). Toxicological profile for aluminum. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA).
Target 3 General References Not Available

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