2-Acetylindole - ≥97% , CAS No.4264-35-1

CAS: 4264-35-1 Cat. No.: A346740 分子式: C₁₀H₉NO 分子量: 159.19 EC番号: 865-269-6

GRADE & PURITY ≥97%

Synonyms

AKOS005143055 | FS-3720 | SCHEMBL6981796 | AM803894 | SCHEMBL68771 | Ethanone,1-(1H-indol-2-yl) | MFCD01863329 | INDOL-2-YL METHYL KETONE | DTXSID30343331 | 2-Acetylindole | EN300-125717 | FT-0647116 | STK942944 | 2-Acetyl indole | A872846 | 1-(1H-Indol-2

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

2-Acetylindole is an indole reagent used to synthesize matrix metalloprotease inhibitors. Matrix metalloproteinases (MMPs) are zinc-dependent endopeptidases which degrade extracellular matrix proteins and process bioactive molecules. These endopeptidases also have a role in cell proliferation, migration, angiogenesis, apoptosis and host defense. Generating these inhibitors are of great importance in the study of MMPs.

Specifications

同義語

AKOS005143055 | FS-3720 | SCHEMBL6981796 | AM803894 | SCHEMBL68771 | Ethanone,1-(1H-indol-2-yl) | MFCD01863329 | INDOL-2-YL METHYL KETONE | DTXSID30343331 | 2-Acetylindole | EN300-125717 | FT-0647116 | STK942944 | 2-Acetyl indole | A872846 | 1-(1H-Indol-2

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 504759401
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504759401
• カノニカル・スマイル: CC(=O)C1=CC2=CC=CC=C2N1
• IUPAC Name: 1-(1H-indol-2-yl)ethanone
• InChIKey: QXJMCSBBTMVSJS-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3
• 異性体SMILES: CC(=O)C1=CC2=CC=CC=C2N1
• 分子量: 159.19
• Reaxy-Rn: 1525486
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1525486&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aryl alkyl ketones Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl alkyl ketone - Aryl ketone - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 溶解度: Soluble in chloroform, DMSO, and methanol.
• 屈折率: n20D1.65 (Predicted)
• 融点（°C）: 154-155° C
• 分子量: 159.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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