Arsine
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Basic Info
| Common Name | Arsine(F03446) |
| 2D Structure | |
| Description | Arsine is a highly toxic gas formed when arsenic-containing materials react with hydrogen in water or acids. It is nonirritating and colorless, with a slight garlic odor. (L11) |
| FRCD ID | F03446 |
| CAS Number | 7784-42-1 |
| PubChem CID | 5359596 |
| Formula | As |
| IUPAC Name | arsenic |
| InChI Key | RQNWIZPPADIBDY-UHFFFAOYSA-N |
| InChI | InChI=1S/As |
| Canonical SMILES | [As] |
| Isomeric SMILES | [As] |
| Wikipedia | Arsine |
| Synonyms |
Arsenic
7440-38-2
Arsenicals
Arsenic compounds
Arsenic, inorganic
Arsenic-75
Arsen
Gray arsenic
Grey arsenic
Arsenic Black
|
| Classifies |
Pollutant
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous metal compounds |
| Class | Homogeneous metalloid compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous metalloid compounds |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Homogeneous metalloid |
| Description | This compound belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 74.922 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 74.922 |
| Exact Mass | 74.922 |
| 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 | 0.8466 |
| CYP450 2D6 Substrate | Non-substrate | 0.8259 |
| CYP450 3A4 Substrate | Non-substrate | 0.8158 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8828 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9313 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9703 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9559 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9865 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8740 |
| 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 | 0.8199 |
| Biodegradation | Ready biodegradable | 0.6918 |
| Acute Oral Toxicity | III | 0.5846 |
| Carcinogenicity (Three-class) | Warning | 0.4769 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.2582 | 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 |
|---|---|---|---|
| Gold nanoparticle-based method for detection of calcium carbide in artificiallyripened mangoes (Magnifera indica). | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018Jun | 29543118 |
| Dietary heavy metal exposure of Finnish children of 3 to 6 years. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018Jul | 29843572 |
| Source identification and spatial distribution of arsenic and heavy metals inagricultural soil around Hunan industrial estate by positive matrix factorizationmodel, principle components analysis and geo statistical analysis. | Ecotoxicol Environ Saf | 2018 Sep 15 | 29778047 |
| Arsenic speciation dynamics in paddy rice soil-water environment: sources,physico-chemical, and biological factors - A review. | Water Res | 2018 Sep 1 | 29775934 |
| Simultaneous determination of arsenic, cadmium and lead in plant foods by ICP-MS combined with automated focused infrared ashing and cold trap. | Food Chem | 2018 Oct 30 | 29853402 |
| Comparison of on-site field measured inorganic arsenic in rice with laboratorymeasurements using a field deployable method: Method validation. | Food Chem | 2018 Oct 15 | 29784305 |
| Impurity profiling of the most frequently encountered falsified polypeptide drugs on the Belgian market. | Talanta | 2018 Oct 1 | 30029448 |
| Simultaneous separation and determination of six arsenic species in Shiitake(Lentinus edodes) mushrooms: Method development and applications. | Food Chem | 2018 Oct 1 | 29751900 |
| Risk assessment for potentially toxic metal(loid)s in potatoes in the indigenous zinc smelting area of northwestern Guizhou Province, China. | Food Chem Toxicol | 2018 Oct | 30016697 |
| A review of soil heavy metal pollution from industrial and agricultural regionsin China: Pollution and risk assessment. | Sci Total Environ | 2018 Nov 15 | 29909337 |
| The bivalve Ruditapes decussatus: A biomonitor of trace elements pollution in Sardinian coastal lagoons (Italy). | Environ Pollut | 2018 Nov | 30064872 |
| Arsenic and Other Elemental Concentrations in Mushrooms from Bangladesh: HealthRisks. | Int J Environ Res Public Health | 2018 May 4 | 29734714 |
| Ethnic, geographic and dietary differences in arsenic exposure in themulti-ethnic study of atherosclerosis (MESA). | J Expo Sci Environ Epidemiol | 2018 May 24 | 29795237 |
| Assessment of metal levels in foodstuffs from the Region of Valencia (Spain). | Toxicol Rep | 2018 May 21 | 30003045 |
| Effect of titanium dioxide nanoparticles on the accumulation and distribution of arsenate in Daphnia magna in the presence of an algal food. | Environ Sci Pollut Res Int | 2018 May 15 | 29766424 |
| Extractive waste management: A risk analysis approach. | Sci Total Environ | 2018 May 1 | 29227941 |
| Dietary intake and urinary metals among pregnant women in the Pacific Northwest. | Environ Pollut | 2018 May | 29438954 |
| Environmental Exposure of Children to Toxic Trace Elements (Hg, Cr, As) in an Urban Area of Yucatan, Mexico: Water, Blood, and Urine Levels. | Bull Environ Contam Toxicol | 2018 May | 29508017 |
| Heavy metal contamination, microbiological spoilage and biogenic amine content insushi available on the Polish market. | J Sci Food Agric | 2018 May | 29134651 |
| Trace elements in seafood from the Mediterranean sea: An exposure riskassessment. | Food Chem Toxicol | 2018 May | 29510219 |
Targets
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.
- Gene Name:
- HBD
- Uniprot ID:
- P02042
- Molecular Weight:
- 16055.41 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Gene Name:
- HBQ1
- Uniprot ID:
- P09105
- Molecular Weight:
- 15507.575 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Specific Function:
- The epsilon chain is a beta-type chain of early mammalian embryonic hemoglobin.
- Gene Name:
- HBE1
- Uniprot ID:
- P02100
- Molecular Weight:
- 16202.71 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Specific Function:
- Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
- Gene Name:
- HBG1
- Uniprot ID:
- P69891
- Molecular Weight:
- 16140.37 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Receptor binding
- Specific Function:
- Occurs in almost all aerobically respiring organisms and serves to protect cells from the toxic effects of hydrogen peroxide. Promotes growth of cells including T-cells, B-cells, myeloid leukemia cells, melanoma cells, mastocytoma cells and normal and transformed fibroblast cells.
- Gene Name:
- CAT
- Uniprot ID:
- P04040
- Molecular Weight:
- 59755.82 Da
- Mechanism of Action:
- Arsine may inhibit catalase, which leads to the accumulation of hydrogen peroxide. This destroys red cell membranes and may contribute to arsine-induced conversion of Fe+2 to Fe+3, which also impairs oxygen transport.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.
- Gene Name:
- HBA1
- Uniprot ID:
- P69905
- Molecular Weight:
- 15257.405 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.LVV-hemorphin-7 potentiates the activity of bradykinin, causing a decrease in blood pressure.Spinorphin: functions as an endogenous inhibitor of enkephalin-degrading enzymes such as DPP3, and as a selective antagonist of the P2RX3 receptor which is involved in pain signaling, these properties implicate it as a regulator of pain and inflammation.
- Gene Name:
- HBB
- Uniprot ID:
- P68871
- Molecular Weight:
- 15998.34 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Gene Name:
- HBM
- Uniprot ID:
- Q6B0K9
- Molecular Weight:
- 15617.97 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Oxygen transporter activity
- Specific Function:
- The zeta chain is an alpha-type chain of mammalian embryonic hemoglobin.
- Gene Name:
- HBZ
- Uniprot ID:
- P02008
- Molecular Weight:
- 15636.845 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html
- General Function:
- Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
- Specific Function:
- Heme binding
- Gene Name:
- HBG2
- Uniprot ID:
- P69892
- Molecular Weight:
- 16126.35 Da
- Mechanism of Action:
- Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis.
References
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). : http://www.atsdr.cdc.gov/MHMI/mmg169.html