O,O-diethyl phosphorothioate

HCID 655CAS 2465-65-8

기본 정보

표준 SMILES
CCOP(O)(=S)OCC
InChIKey
PKUWKAXTAVNIJR-UHFFFAOYSA-N
분자식
C4H11O3PS
평균 분자량
170.17 g/mol
단동위원소 질량
170.01665184

개요

O,O-diethyl hydrogen thiophosphate is an organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of an O,O-diethyl thiophosphate.

이름 및 식별자

우선 이름
O,O-diethyl phosphorothioate
IUPAC
diethoxy-hydroxy-sulfanylidene-λ5-phosphane
영어명
O,O-Diethyl thiophosphate, potassium salt
분자식
C4H11O3PS
분자량
170.17

이름 및 동의어

2465-65-8O,O-Diethyl hydrogen phosphorothioateDETP (ester)O,O-Diethyl phosphorothionateDiethyl hydrogen phosphorothionateO,O-DIETHYL PHOSPHOROTHIOATEFND2ADQ374DTXSID9052844NSC-289183NSC-289427RefChem:928011DTXCID6031336
이름 더 보기
O,O-diethyl O-hydrogen phosphorothioateDEPThDETP(ester)Chlorpyrifos Impurity 4Chlorpyrifos Impurity 2Thiophosphoric acid diethylO,O-DIETHYLPHOSPHOROTHIOATEThiophosphoric acid O,O-diethylO,O'-diethyl thiophosphoric acid
DETPO,O-DIETHYL HYDROGEN THIOPHOSPHATEDiethylthiophosphoric acidO,O-Diethyl thiophosphatePhosphorothioic acid, O,O-diethyl esterCHEBI:28006O,O-DIETHYL S-HYDROGEN PHOSPHOROTHIOATEdiethoxy-hydroxy-sulfanylidene-lambda5-phosphane

데이터베이스 식별자

CAS
2465-65-8、5871-17-0
PubChem CID
655
DTXSID
DTXSID9052844
ChEMBL
CHEMBL1232328
ChEBI
CHEBI:28006
UNII
FND2ADQ374
Nikkaji
J80.493B

물성

구조 계산 물성

XLogP
1.4
극성 표면적
70.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
9

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

녹는점
180 · 180-186 °C(lit.)
끓는 점
105 · 105-106 °C(Press: 2 Torr)
밀도
1.1806 g/cm3 · 1.1806 g/cm3
산도 계수 (pKa)
-0.1 · -0.10±0.34(Predicted)

안전 및 규제

독성 정보

Toxicity Summary · 1건

Diethylthiophosphate (DETP) induces DNA damage only in the hepatic cell lines, and this effect could be related to a secondary non-diffusible metabolite generated by the activity of P450 enzymes since P450 enzyme inhibitors also inhibited the induction of DNA damage in hepatic cells. This organophosphorous (OP) metabolite has shown some toxicity in human peripheral blood mononucleated cells (PBMC). DETP is a cytotoxic compound in human PBMC. A relationship between urinary levels of DETP and the number of sperm susceptible to chromatin alteration has been reported among rural agricultural workers. In addition, a correlation between the frequency of aneuploidy in sperm and the levels of DETP in urine was identified in a rural population exposed to OP pesticides, indicating that the potential for genotoxicity following OP exposure may depend on the type and quantity of specific metabolites produced, such as DETP. (A15411)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

Diethyl thiophosphate is a known human metabolite of Diazinon.

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

용도 및 제조

UsesThis is a natural compound that is used as a pesticide.

공급사8 곳

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]

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