Following injection of fluoroacetate-2-(14)C into rats, about 3% of label appeared in respiratory carbon dioxide and 32% in urine within 4 days. Labeled fluorocitrate was recovered from urine. Incorporation of label into cholesterol and into... lower and higher fatty acid fractions was demonstrated. Other unidentified labeled materials /were/... observed.
When fluoroacetate-2-(14)C was applied to plants (acacia geoginae, castor bean, peanut, pinto bean), labeled carbon monoxide was observed. Some label... was also incorporated into water soluble fractions and lipids. In some plant seeds... /it/ was converted into fluorine-containing long chain fatty acids.
Sodium fluoroacetate is converted into fluorocitric acid in body and blocks TCA cycle by inhibiting aconitase activity. Poisoning can be diagnosed by increased citric acid levels in all organs or by determination of aconitase activity.
2,4-Dinitrofluorobenzene reacts with glutathione to form a stable product similar to that formed with the model glutathione-S-transferase substrate, 1-chloro-2,4-dinitrobenzene. ... Fluoroacetamide, like fluoroacetate, undergoes no discernable chemical defluorination. Its enzymatic defluorination is approx 10% of that observed for fluoroacetate and only 0.2% of the rate for 2,4-dinitrofluorobenzene. An antibody raised to the fluoroacetate specific dehalogenase precipitated both fluoroacetate ad fluoroacetamide defluorinating activity but had no effect on either 1-chloro-2,4-dinitrobenzene or 2,4-dinitrofluorobenzene activity. ... 2,4-Dinitrofluorobenzene is metabolized by the glutathione-S-transferase while fluoroacetamide is metabolized by the fluoroacetate specific dehalogenase.
Fluoroacetate administered ip to rats and mice is defluorinated to give fluoride ion evident in urine and kidney by (19)F NMR. The use of 2-(13)C-, 1,2-(13)C-, and 1,2-(14)C-fluoroacetate, ... reveals a complex mixture of urinary metabolites including an S-(carboxymethyl) conjugate complex in rats and mice and sulfoxidation products... in rats. ...Bile, following treatment with 2-(13)C- fluoroacetate, shows the presence of S-(carboxymethyl)glutathione or a related conjugate and an O-conjugate of fluoroacetate. Incubation of (13)C-fluoroacetate with rat and mouse liver cytosol involves formation of S-((13)C-carboxymethyl) glutathione and fluoride ion. Fluorocitrate is also /detected in/ fluoroacetate incubations with mouse liver cytosol. Fluoroacetamide administered ip to rats and mice yields urinary fluoride ion formed via fluoroacetate which is liberated on hydrolysis by an organophosphate-sensitive amidase. (19)F NMR... of other metabolites of fluoroacetamide are consistent with fluoroacetohydroxamic acid in the liver of mice and fluorocitrate in the urine of rats. Fluoroethanol gives urinary fluoroacetate and fluoride ion in rats and mice and is converted to fluoroacetaldehyde by mouse and rat liver microsomes. (-)- and (+)-erythro- fluorocitrates administered ip to rats yield mostly the parent compounds in urine at 6 hr with increasing amounts of fluoride ion thereafter. ...Rat and mouse liver cytosols defluorinate (-)-erythro-fluorocitrate. Metabolic defluorination and pig heart aconitase also defluorinates (-)-erythro- fluorocitrate. Metabolic defluorination of fluoroacetate and its progenitors, fluoroacetamide and fluoroethanol, is therefore attributable to both conjugation of fluoroacetate with glutathione and conversion to (-)-erythro-fluorocitrate, which is both an inhibitor of and a substrate for aconitase. ...Urine of rats and mice poisoned with fluoroacetate or (-)-erythro-fluorocitrate show elevated citrate and glucose and diminished urea consistent with disruptions in the tricarboxylic acid cycle and ammonia metabolism.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
致癌性证据
未列出
Not listed
来源:Occupational Safety and Health Administration (OSHA)
毒理性
健康影响
健康影响代码：HE4 - 急性毒性 - 短期高风险效应
Health Effect Code(s):HE4 - Acute Toxicity---Short-term high risk effects
来源:Occupational Safety and Health Administration (OSHA)
毒理性
暴露途径
这种物质可以通过吸入、皮肤接触和摄入被身体吸收。
The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
来源:The National Institute for Occupational Safety and Health (NIOSH)
吸收、分配和排泄
... 快速被胃肠道吸收。完整皮肤对其吸收不佳，但在皮炎或其他皮肤损伤的情况下，吸收可能会增加。
... Rapidly absorbed by GI tract. It is not well absorbed by intact skin, but absorption may be greater in presence of dermatitis or other skin injury.
... Samples taken at autopsy from man who survived about 17 hours after being found unconscious ... /showed concn in/ urine, 368 ppm; liver, 58 ppm; brain, 76 ppm; and kidney, 65 ppm.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
...死因被怀疑是氟乙酸钠导致的人体内脏含有2.4毫克/100克的氟。
...Liver of person whose death was supposed due to sodium fluoroacetate contained 2.4 mg of fluorine/100 g.
Amount of sodium monofluoroacetate recovered from brain per unit weight of tissue was about 2 times that from other organs after rabbits were killed with dose 10 times LD50. Amount of organofluorine was about the same 24 hr after death as immediately after death and decreased gradually, by 10-20% after 3 days and by 50-80% when carcass was kept at 21-25 °C.
Mechanistic Insights of a Concerted Metalation–Deprotonation Reaction with [Cp*RhCl2]2
摘要：
The effect of the carboxylate used in a concerted metalation-deprotonation reaction is probed, and shows a direct correlation of pK(a) to observed rate up to a pK(a) of 4.3, Where the rate drops off at higher pK(a). The rate of the C-H antivation of 2-(4-methoxyphenyl)pyridine with [Cp*RhCl2](2) and carboxylate follows first-order kinetics hi the active metal species, Cp*RhCl(kappa(2)-OAc), and zero-Order kinetics in substrate when in a 1:1 ratio. There is a first-order dependence on substrate observed when excess substrate is present. The evaluation of the mechanism using kinetic studies allowed for a mechanistic proposal in which a second Ph'Py coordinates prior to the rate-determining C-H activation.
[EN] METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS<br/>[FR] PROCEDES DE TRAITEMENT D'AMYLOIDOSE UTILISANT DES INHIBITEURS DE PROTEASE ASPARTYLE
申请人：ELAN PHARM INC
公开号：WO2005070407A1
公开（公告）日：2005-08-04
The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.
Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors
申请人：John Varghese
公开号：US20060014737A1
公开（公告）日：2006-01-19
The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.
The Sensitive Balance between Five-Coordinate Carbene and Six-Coordinate Carbyne Ruthenium Complexes Formed from Ruthenium Vinylidene Precursors
作者：Pablo González-Herrero、Birgit Weberndörfer、Kerstin Ilg、Justin Wolf、Helmut Werner
DOI：10.1021/om010422x
日期：2001.8.1
carbene complexes [Ru(κ2-O2CR1)C(CH2Ph)OC(O)R2}(PiPr3)2]BArf [R1 = R2 = CHF2 (7a), CF3 (7b); R1 = CF3, R2 = H (7c)] were obtained on protonation of the precursors [Ru(κ1-O2CR1)(κ2-O2CR2)(CCHPh)(PiPr3)2] (4a−c) with [H(OEt2)2]BArf. Both 7a and 7b undergo a fluxional process in solution resulting in a κ1/κ2 interconversion of the carboxylato groups. The crystal and molecularstructures of 2b, 5e, and 6a
二氯（亚乙烯基）钌化合物[RuCl 2（C CHR）L 2 ]（R = Ph或t Bu和L = PCy 3或P i Pr 3）（1a - d）与[H（OEt 2）2 ] BAR ˚F（巴˚F - = [B C 6 H ^ 3（CF 3）2 -3,5} 4 ] - ）导致质子的在C攻击β亚乙烯基配体的碳原子，并以几乎定量的产率得到相应的阳离子，五配位碳氮鎓络合物[RuCl 2（⋮CCH 2 R）L 2 ] BAr f（2a - d）。所述羧酸根衍生物将[RuCl（κ的质子化2 -O 2 CR）（Ç CHPh配合）（P我镨3）2 ] [R = H（图3a），CH 3（图3b），或PH（3F）]与[ H（OET 2）2 ] BAR ˚F导致形成五配位环状卡宾配合物[RuCl C（CH 2 Ph）OC（O）R}（P i Pr 3）2 ] BAr f [R = H（6a），CH 3（6b） ，
β-Haloethanol Substrates as Probes for Radical Mechanisms for Galactose Oxidase
作者：Rebekka M. Wachter、Michael P. Montague-Smith、Bruce P. Branchaud
DOI：10.1021/ja9626695
日期：1997.8.1
Ketyl radical anions with a halogen substitutent on the carbon adjacent to ketyl are known to rapidly rearrange by halide anion ejection. Such a rearrangement is an ideal probe for possible ketyl radical anion intermediates in the catalytic mechanism of the monocopper/tyrosine radical enzyme galactoseoxidase (GOase). Turnover of β-fluoro-, β-chloro-, β-bromo-, and β-iodoethanol by GOase leads to mechanism-based
Crystal Structure and Spectroscopic Investigation of Bromofluoro‐ and Fluoroiodomethane
作者：Michael Feller、Karin Lux、Andreas Kornath
DOI：10.1002/ejic.201500759
日期：2015.11
The solid states of bromofluoromethane (BFM) and fluoroiodomethane (FIM) are characterized by X-ray diffraction analysis and by Raman spectroscopy. The single crystals were obtained by crystallization in situ at low temperature. BFM and FIM crystallize in the space group I2/a and Abm2, respectively. The Raman spectra of both compounds were recorded in different aggregation states and at different temperatures
溴氟甲烷 (BFM) 和氟碘甲烷 (FIM) 的固态通过 X 射线衍射分析和拉曼光谱进行表征。通过在低温下原位结晶获得单晶。BFM 和 FIM 分别在空间群 I2/a 和 Abm2 中结晶。在不同的聚集状态和不同的温度下记录了两种化合物的拉曼光谱。量子化学计算和 X 射线衍射数据被认为可以描述两种化合物在固态下的非共价相互作用。这些相互作用是在 σ-hole 概念的上下文中讨论的。
