ピリミホスメチル溶液 - 分析用標準品、100ug/ml、u=2%、アセトン中 , CAS No.29232-93-7

CAS: 29232-93-7 Cat. No.: P115117 分子式: C₁₁H₂₀N₃O₃PS 分子量: 305.33 Beilstein Registry Number: 755726 EC番号: 249-528-5

GRADE & PURITY Analytical standard, 100ug/ml,u=2%,in acetone

Synonyms

Primiphos-methyl | NCGC00163924-02 | NCGC00254624-01 | O-(2-(DIETHYLAMINO)-6-METHYL-4-PYRIMIDINYL) O,O-DIMETHYL PHOSPHOROTHIOATE | Pirimifosmethyl | Pyridimine phosphate | 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methyl-2-pyrimidinamine | DTXCID004266

Storage

2-8℃で保存する。

Shipped In

濡れた氷

Specifications

同義語

Primiphos-methyl | NCGC00163924-02 | NCGC00254624-01 | O-(2-(DIETHYLAMINO)-6-METHYL-4-PYRIMIDINYL) O,O-DIMETHYL PHOSPHOROTHIOATE | Pirimifosmethyl | Pyridimine phosphate | 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methyl-2-pyrimidinamine | DTXCID004266

仕様と純度

分析用標準品、100ug/ml、u=2%、アセトン中

保管条件

2-8℃で保存する。

入荷

濡れた氷

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528773469
• カノニカル・スマイル: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C
• IUPAC Name: 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
• InChIKey: QHOQHJPRIBSPCY-UHFFFAOYSA-N
• INCHI: 1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
• 異性体SMILES: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C
• WGKドイツ: 3
• RTECS: TF1410000
• UN番号: 3082
• 包装グループ: III
• 分子量: 305.33
• Beilstein: 755726
• Reaxy-Rn: 755726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=755726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Pyrimidinyl phosphorothioates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Pyrimidinyl phosphorothioates
• Alternative Parents: Thiophosphate triesters Dialkylarylamines Aminopyrimidines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl phosphorothioate - Dialkylarylamine - Thiophosphate triester - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom.
• External Descriptors: Organophosphorus insecticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Tetranychus urticae (2600 Activities)

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Bemisia tabaci (599 Activities)

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Chilo suppressalis (440 Activities)

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Liposcelis entomophila (20 Activities)

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Liposcelis bostrychophila (71 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liposcelis paeta (15 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 融点（°C）: 15°C
• 分子量: 305.340 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 305.096 Da
• Monoisotopic Mass: 305.096 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Xinyue Zhang, Zhi Li, Yang Wang, Shuaihua Zhang, Xiaohuan Zang, Chun Wang, Zhi Wang.  (2023)  Preparation of black phosphorus nanosheets/ zeolitic imidazolate framework nanocomposite for high-performance solid-phase microextraction of organophosphorus pesticides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37660557] [10.1016/j.chroma.2023.464339]

2. Kai Zhang, Liangzi Wang, Jingitao liu, Shiyu Zhao, Longfei Ding, Binhua Zhou, Bo Zhao.  (2023)  A Highly Sensitive Electrochemical Methamidophos Immobilized AChE Biosensor for Organophosphorus Pesticides Detection.  International Journal of Electrochemical Science,      [PMID:] [10.20964/2022.04.44]

3. Guozheng Zhao, Binhua Zhou, Xiuwen Wang, Jian Shen, Bo Zhao.  (2021)  Detection of organophosphorus pesticides by nanogold/mercaptomethamidophos multi-residue electrochemical biosensor.  FOOD CHEMISTRY,      [PMID:33735695] [10.1016/j.foodchem.2021.129511]

4. Kangmiao Guo, Xiaokun Wu, Fan Zhang, Ying Cao, Zenglei Tan, Shuwen Xiao, Lijie Wu.  (2024)  Deep Eutectic Solvents-Based Ultrasonic-Assisted Dispersive Liquid–Liquid Microextraction for the Determination of Organophosphorus Pesticides in Honeysuckle Dew Samples.  MOLECULES,  29  (14): (3423).  [PMID:39065001] [10.3390/molecules29143423]

5. Dan Zhao, Gang Yu, Miaoxiu Ge, Mingdai Han, Haibing Meng, Wei Xiong, Luhong Wen.  (2024)  Post-modified linker functionalization of metal organic frameworks for high-efficiency adsorption and quantification of trace organophosphorus pesticides in environmental water.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.127470]

6. Manman Qin, Leting Wang, Kaixin Xu, Zhehao Liang, Chao Zhong, Yanfei Xie, Dan Shan, Jun Yu, Jiang Wang, Hao Fan.  (2025)  Rapid identification of high-viscosity rice soup quality using neutral desorption extractive electrospray ionization mass spectrometry.  Analytical Methods,      [PMID:40758120] [10.1039/D5AY00420A]