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<compound>
  <id type="integer">335</id>
  <title>T3D0334</title>
  <common-name>Lead styphnate</common-name>
  <description>Lead styphnate belongs to the nitrophenols, a subclass of phenols within the organic compounds. This exogenous compound has the formula C6HN3O8Pb and an average molecular weight of 450.30 g/mol. It is a solid at room temperature and is classified as a benzenoid. It is used as a detonator. The compound is present in high impact polystyrene and is used in several plastics, including polyethylene terephthalate, polycarbonate, polyamide, polyurethane, acrylonitrile butadiene styrene, polyvinyl chloride, polystyrene, expanded polystyrene, polypropylene, low-density polyethylene, and high-density polyethylene. Recorded sources for its release include electrical and electronic equipment, specifically electric switches, antennas, emergency protective devices, relays, and cores yokes or armatures.

Lead styphnate interacts with various protein targets. It binds to sodium/potassium-transporting ATPases, including subunits alpha-1 (ATP1A1), alpha-2 (ATP1A2), alpha-3 (ATP1A3), and gamma (FXYD2). It exhibits competitive inhibition with calcium at protein kinase C, including types alpha (PRKCA), beta (PRKCB), delta (PRKCD), and epsilon (PRKCE), which alters the blood-brain barrier and impairs brain microvascular function and formation. It also shows competitive inhibition at the NMDA receptor, affecting proteins GRIN2A, GRIN2B, GRIN2C, and GRIN3A. Lead binds to ACBP (acyl-CoA-binding protein), affecting insulin secretion, steroidogenesis, and the regulation of acyl-CoA metabolism. Additionally, it binds to thymosin beta-4, an immunotransmitter involved in the stimulation of CaM-dependent kinases and cytoskeleton modulation. Lead inhibits ferrochelatase (FECH) and delta-aminolevulinic acid dehydratase (ALAD), preventing the biosynthesis of heme. Finally, it competitively inhibits calcium's binding of calmodulin, which interferes with neurotransmitter release and alters cAMP messenger pathways.</description>
  <cas>15245-44-0</cas>
  <pubchem-id>61789</pubchem-id>
  <chemical-formula>C6HN3O8Pb</chemical-formula>
  <weight>450.953000</weight>
  <appearance>Orange/yellow solid.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L136) ; inhalation (L136);  dermal (L136)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Lead mimics other biologically important metals, such as zinc, calcium, and iron, competing as cofactors for many of their respective enzymatic reactions. For example, lead has been shown to competitively inhibit calcium's binding of calmodulin, interferring with neurotransmitter release. It exhibits similar competitive inhibition at the NMDA receptor and protein kinase C, which impairs brain microvascular formation and function, as well as alters the blood-brain barrier. Lead also affects the nervous system by impairing regulation of dopamine synthesis and blocking evoked release of acetylcholine. However, it's main mechanism of action occurs by inhibiting delta-aminolevulinic acid dehydratase, an enzyme vital in the biosynthesis of heme, which is a necesssary cofactor of hemoglobin. (T4, A20, A22, L136)</mechanism-of-toxicity>
  <metabolism>Lead is absorbed following inhalation, oral, and dermal exposure. It is then distributed mainly to the bones and red blood cells. In the blood lead may be found bound to serum albumin or the metal-binding protein metallothionein. Organic lead is metabolized by cytochrome P-450 enzymes, whereas inorganic lead forms complexes with delta-aminolevulinic acid dehydratase. Lead is excreted mainly in the urine and faeces. (L136)</metabolism>
  <toxicity nil="true"/>
  <lethaldose>10 to 30 grams for and adult human (lead salts). (T17)</lethaldose>
  <carcinogenicity>Organic lead compounds are not classifiable as to their carcinogenicity to humans (Group 3). To the extent that organic lead compounds are metabolized in part to ionic lead, they are expected to exert the toxicities associated with inorganic lead (Group 2A, probably carcinogenic to humans). (L135)</carcinogenicity>
  <use-source>Lead styphnate is used as a detonator. (L415)</use-source>
  <min-risk-level>Chronic Inhalation: 0.05 mg/m3 (L134)</min-risk-level>
  <health-effects>Lead is a neurotoxin and has been known to cause brain damage and reduced cognitive capacity, especially in children. Lead exposure can result in nephropathy, as well as blood disorders such as high blood pressure and anemia. Lead also exhibits reproductive toxicity and can results in miscarriages and reduced sperm production. (L21)</health-effects>
  <symptoms>Symptions of chronic lead poisoning include reduced cognitive abilities, nausea, abdominal pain, irritability, insomnia, metal taste in the mouth, excess lethargy or hyperactivity, chest pain, headache and, in extreme cases, seizures, comas, and death. There are also associated gastrointestinal problems, such as constipation, diarrhea, vomiting, poor appetite, weight loss, which are common in acute poisoning. (A2, L21)</symptoms>
  <treatment>Lead poisoning is usually treated with chelation therapy using DMSA, EDTA, or dimercaprol. (L21)</treatment>
  <created-at type="dateTime">2009-03-06T18:58:33Z</created-at>
  <updated-at type="dateTime">2026-04-06T07:48:12Z</updated-at>
  <interacting-proteins>Delta-aminolevulinic acid dehydratase (P13716) Serum albumin (P02768) Metallothionein-2 (P02795) Metallothionein-1G (P13640) Metallothionein-1H (P80294) Metallothionein-3 (P25713) Metallothionein-1F (P04733) Metallothionein-1E (P04732) Metallothionein-1X (P80297) Metallothionein-1A (P04731) Metallothionein-1B (P07438) Metallothionein-1M (Q8N339) Metallothionein-4 (P47944) Metallothionein-1L (Q93083) (L136)</interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Lead styphnate</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>12775</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins>Delta-aminolevulinic acid dehydratase (P13716) 
Serum albumin (P02768) 
Metallothionein-2 (P02795) 
Metallothionein-1G (P13640) 
Metallothionein-1H (P80294) 
Metallothionein-3 (P25713) 
Metallothionein-1F (P04733) 
Metallothionein-1E (P04732) 
Metallothionein-1X (P80297) 
Metallothionein-1A (P04731) 
Metallothionein-1B (P07438) 
Metallothionein-1M (Q8N339) 
Metallothionein-4 (P47944) 
Metallothionein-1L (Q93083)
(L136)</transporting-proteins>
  <moldb-smiles>[Pb++].[O-]C1=C(C([O-])=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C6HN3O8Pb</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3N3O8.Pb/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2</moldb-inchi>
  <moldb-inchikey>WETZJIOEDGMBMA-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">450.3</moldb-average-mass>
  <moldb-mono-mass type="decimal">450.952999873</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>55674</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000283</chemdb-id>
  <dsstox-id>DTXSID10890757</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00113217</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>183.57999999999998</moldb-polar-surface-area>
  <moldb-refractivity>73.09449999999998</moldb-refractivity>
  <moldb-polarizability>16.956083834371924</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>1.2526646232323166</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-8.230710547661833</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.45</moldb-alogps-logp>
  <moldb-alogps-logs>-2.78</moldb-alogps-logs>
  <moldb-alogps-solubility>8.34e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenols</klass>
  <subklass>Nitrophenols</subklass>
  <paper-count type="integer">22</paper-count>
  <sync-id>CED0020909</sync-id>
  <structure-inchikey>WETZJIOEDGMBMA-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>800000000000000000400000000000000000000000000000000000000000000001000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000020000000000000001800000001400000000000000000000200000000100000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000040000000000000000000001090000000080000000400</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T03:59:38Z</structure-indexed-at>
</compound>
