2-Oxindole - ≥98%(GC) , CAS No.59-48-3

CAS: 59-48-3 Cat. No.: O100775 分子式: C₈H₇NO 分子量: 133.15 Beilstein Registry Number: 114692 EC番号: 200-429-5

GRADE & PURITY ≥98%(GC)

Synonyms

AB00523 | 2-Oxindole pound>>Diclofenac Impurity E | 2-Oxindoline | 2-OXOINDOLE | NSC 274863 | AH-034/32845032 | F1091-0004 | s4861 | 2,3-Dihydroindole-2-one | 1,3-Dihydro-2H-indol-2-one | indol-2-ol | indolin 2-one | 2(1H,3H)indolone | 2(1H,3H)-indolone |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AB00523 | 2-Oxindole pound>>Diclofenac Impurity E | 2-Oxindoline | 2-OXOINDOLE | NSC 274863 | AH-034/32845032 | F1091-0004 | s4861 | 2,3-Dihydroindole-2-one | 1,3-Dihydro-2H-indol-2-one | indol-2-ol | indolin 2-one | 2(1H,3H)indolone | 2(1H,3H)-indolone |

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488189493
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488189493
• カノニカル・スマイル: C1C2=CC=CC=C2NC1=O
• IUPAC Name: 1,3-dihydroindol-2-one
• InChIKey: JYGFTBXVXVMTGB-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
• 異性体SMILES: C1C2=CC=CC=C2NC1=O
• WGKドイツ: 3
• RTECS: NM2080500
• 分子量: 133.15
• Beilstein: 114692
• Reaxy-Rn: 114692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• External Descriptors: an indole derivative

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）

CMA1 Tchem Chymase (726 Activities)

Discover Target: CMA1

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PDK2 Tchem Pyruvate dehydrogenase kinase isoform 2 (894 Activities)

Discover Target: PDK2

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PDK4 Tchem Pyruvate dehydrogenase kinase isoform 4 (177 Activities)

Discover Target: PDK4

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関連ターゲット（非人間）

Leishmania infantum (5912 Activities)

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RAW264.7 (28094 Activities)

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Plutella xylostella (1838 Activities)

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Spodoptera exigua (540 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol, ethanol, dimethyl sulfoxide and ether. Insoluble in water.
• 沸点（°C）: 227°C/73mmHg
• 融点（°C）: 123-128°C
• 分子量: 133.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 155.000
• 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. Yu-Tong Duan, Zhong-Xia Wang.  (2023)  Transition-Metal-Free α-C-Alkylation of Oxindoles with Alcohols.  Asian Journal of Organic Chemistry,  12  (5): (e202300015).  [PMID:] [10.1002/ajoc.202300015]

2. Yuanyuan Zhu, Long Wu, Heng Yan, Zhicheng Lu, Wenmin Yin, Heyou Han.  (2019)  Enzyme induced molecularly imprinted polymer on SERS substrate for ultrasensitive detection of patulin.  ANALYTICA CHIMICA ACTA,      [PMID:32029101] [10.1016/j.aca.2019.12.030]

3. Li Yang, Wenxuan Wei, Yuanchi Ma, Yewei Xu, Guanjun Chang.  (2019)  Intermolecular channel expansion induced by cation-π interactions to enhance lithium storage in a crosslinked π-conjugated organic anode.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2019.227551]

4. Jiadi Sun, Wei Guo, Jian Ji, Zaijun Li, Xiao Yuan, Fuwei Pi, Yinzhi Zhang, Xiulan Sun.  (2019)  Removal of patulin in apple juice based on novel magnetic molecularly imprinted adsorbent Fe3O4@SiO2@CS-GO@MIP.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2019.108854]

5. Chunle Wei, Jian Zhang, Jing Shi, Xiuhai Gan, Deyu Hu, Baoan Song.  (2019)  Synthesis, Antiviral Activity, and Induction of Plant Resistance of Indole Analogues Bearing Dithioacetal Moiety.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31721582] [10.1021/acs.jafc.9b05357]

6. Wu Long, Yan Heng, Li Guanghui, Xu Xin, Zhu Lin, Chen Xiaoqiang, Wang Jing.  (2019)  Surface-Imprinted Gold Nanoparticle-Based Surface-Enhanced Raman Scattering for Sensitive and Specific Detection of Patulin in Food Samples.  Food Analytical Methods,  12  (7): (1648-1657).  [PMID:] [10.1007/s12161-019-01498-4]

7. Yanjuan Gao, Guoying Wang, Aijuan Zhou, Xiuping Yue, Yanqing Duan, Xin Kong, Xiao Zhang.  (2019)  Effect of nitrate on indole degradation characteristics and methanogenesis under mixed denitrification and methanogenesis culture.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2019.02.009]

8. Huowang Zheng, Fangshu Shi, Jinjun Li, Xiangyu Bian, Shuisheng Wu, Xiaoqiong Li.  (2025)  The Dose-Dependent Influence of Type 2 Resistant Starch on Gut Microbial Communities and Metabolic Outputs: An In Vitro Simulation.  Foods,  14  (18): (3255).  [PMID:41008227] [10.3390/foods14183255]

9. Wenyan Yan, Shuyue Li, Baoqing Bai, Ying Zhang, Jinhua Zhang, Tao Bo, Qinghua Wang, Ying Gu, Yukun Yang, Shuo Wang.  (2026)  Three-birds-with-one-stone: MIP-decorated MOF/COF hybrid nanoplatform for multifunctional PEC sensing, adsorption, and photocatalytic degradation of patulin.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.150741]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 59-48-3, the molecular formula is C8H7NO, and the molecular weight is 133.15 g/mol. InChIKey JYGFTBXVXVMTGB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.