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159939-87-4 | Phosphonothioic acid, P-methyl-, S-[2-(diethylamino)ethyl] O-(2-methylpropyl) ester
CAS No: 159939-87-4 Catalog No: AG001RIT MDL No:
Product Description
Catalog Number:
AG001RIT
Chemical Name:
Phosphonothioic acid, P-methyl-, S-[2-(diethylamino)ethyl] O-(2-methylpropyl) ester
CAS Number:
159939-87-4
Molecular Formula:
C11H26NO2PS
Molecular Weight:
267.3684
IUPAC Name:
N,N-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine
InChI:
InChI=1S/C11H26NO2PS/c1-6-12(7-2)8-9-16-15(5,13)14-10-11(3)4/h11H,6-10H2,1-5H3
InChI Key:
MNLAVFKVRUQAKW-UHFFFAOYSA-N
SMILES:
CCN(CCSP(=O)(OCC(C)C)C)CC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.368g/mol
Monoisotopic Mass:
267.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Probing the role of amino acids in oxime-mediated reactivation of nerve agent-inhibited human acetylcholinesterase. | Toxicology in vitro : an international journal published in association with BIBRA 20150301 |
| Determination of S-2-(N,N-diisopropylaminoethyl)- and S-2-(N,N-diethylaminoethyl) methylphosphonothiolate, nerve agent markers, in water samples using strong anion-exchange disk extraction, in vial trimethylsilylation, and gas chromatography-mass spectrometry analysis. | Journal of chromatography. A 20120316 |
| Post-exposure therapy with recombinant human BuChE following percutaneous VX challenge in guinea-pigs. | Toxicology letters 20110925 |
| Organophosphate hydrolases as catalytic bioscavengers of organophosphorus nerve agents. | Toxicology letters 20110925 |
| Immobilization of Russian VX skin depots by localized cooling: implications for decontamination and medical countermeasures. | Toxicology letters 20110925 |
| Reactivation of organophosphate-inhibited human, Cynomolgus monkey, swine and guinea pig acetylcholinesterase by MMB-4: a modified kinetic approach. | Toxicology and applied pharmacology 20101215 |
| Mechanism for potent reactivation ability of H oximes analyzed by reactivation kinetic studies with cholinesterases from different species. | Chemico-biological interactions 20100906 |
| Purification and characterization of functional human paraoxonase-1 expressed in Trichoplusia ni larvae. | Chemico-biological interactions 20100906 |
| In vivo reactivation by oximes of inhibited blood, brain and peripheral tissue cholinesterase activity following exposure to nerve agents in guinea pigs. | Chemico-biological interactions 20100906 |
| Comparison of human and guinea pig acetylcholinesterase sequences and rates of oxime-assisted reactivation. | Chemico-biological interactions 20100906 |
| Changes in extracellular striatal acetylcholine and brain seizure activity following acute exposure to nerve agents in freely moving guinea pigs. | Toxicology mechanisms and methods 20100301 |
| Time-course changes of acetylcholinesterase activity in blood and some tissues in rats after intoxication by Russian VX. | Neurotoxicity research 20091101 |
| Suitability of human butyrylcholinesterase as therapeutic marker and pseudo catalytic scavenger in organophosphate poisoning: a kinetic analysis. | Toxicology 20090517 |
| Comparison of oxime reactivation and aging of nerve agent-inhibited monkey and human acetylcholinesterases. | Chemico-biological interactions 20080925 |
| A structure-activity analysis of the variation in oxime efficacy against nerve agents. | Toxicology and applied pharmacology 20080901 |
| Inhibition, reactivation and aging kinetics of highly toxic organophosphorus compounds: pig versus minipig acetylcholinesterase. | Toxicology 20080203 |
| Aging pathways for organophosphate-inhibited human butyrylcholinesterase, including novel pathways for isomalathion, resolved by mass spectrometry. | Toxicological sciences : an official journal of the Society of Toxicology 20071101 |
| Evaluation of potency of known oximes (pralidoxime, trimedoxime, HI-6, methoxime, obidoxime) to in vitro reactivate acetylcholinesterase inhibited by pesticides (chlorpyrifos and methylchlorpyrifos) and nerve agent (Russian VX). | Acta medica (Hradec Kralove) 20070101 |
| Russian VX: inhibition and reactivation of acetylcholinesterase compared with VX agent. | Basic & clinical pharmacology & toxicology 20060401 |
| Analogues with fluorescent leaving groups for screening and selection of enzymes that efficiently hydrolyze organophosphorus nerve agents. | Journal of medicinal chemistry 20060112 |
| The reactivating and therapeutic efficacy of oximes to counteract Russian VX poisonings. | International journal of toxicology 20060101 |
| Pharmacological antagonism of lethal effects induced by O-isobutyl S-[2-(diethylamino)ethyl]methylphosphonothioate. | Drug and chemical toxicology 20020801 |
| Comparison of the hydrolytic stability of S-(N,N-diethylaminoethyl) isobutyl methylphosphonothiolate with VX in dilute solution. | Journal of applied toxicology : JAT 20011201 |
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