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2-(benzylamino)-2-(1H-indol-3-yl)acetic acid, also known as 3-(2-(benzylamino)-2-oxoethyl)-1H-indole-3-ylacetic acid, is a synthetic chemical compound with the molecular formula C20H19N3O3. It belongs to the class of indole derivatives, which are organic compounds characterized by a bicyclic ring system consisting of a six-membered benzene ring fused to a five-membered pyrrole ring. 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid has potential pharmaceutical applications and is of interest to scientists and researchers in the field of medicinal chemistry and pharmacology due to its chemical properties and interactions with biological systems.

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  • 130361-06-7 Structure
  • Basic information

    1. Product Name: 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid
    2. Synonyms: 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid
    3. CAS NO:130361-06-7
    4. Molecular Formula:
    5. Molecular Weight: 280.326
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 130361-06-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid(130361-06-7)
    11. EPA Substance Registry System: 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid(130361-06-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 130361-06-7(Hazardous Substances Data)

130361-06-7 Usage

Uses

Used in Pharmaceutical Research and Development:
2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is used as a chemical intermediate in the research and development of new drugs. Its unique structure and properties make it a promising candidate for the design and synthesis of novel pharmaceutical agents with potential therapeutic applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is utilized as a building block for the synthesis of various bioactive compounds. Its indole core and functional groups can be modified to create new molecules with specific biological activities, such as agonists or antagonists of certain receptors or enzymes.
Used in Drug Discovery:
2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is employed in drug discovery processes as a potential lead compound. Its chemical properties and interactions with biological targets can be studied to identify potential therapeutic effects and optimize its pharmacological profile.
Used in Chemical Synthesis:
In chemical synthesis, 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid serves as a versatile starting material for the preparation of a wide range of indole-based compounds. Its reactivity and functional groups can be exploited to synthesize various derivatives with diverse chemical and biological properties.
Used in Biochemical Research:
2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is utilized in biochemical research to study its interactions with biological systems, such as proteins, enzymes, and receptors. Understanding these interactions can provide insights into the compound's potential biological activities and mechanisms of action.
Used in Drug Design:
In the field of drug design, 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is employed as a template for the development of new pharmaceutical agents. Its structural features can be used to guide the design of molecules with improved pharmacokinetic and pharmacodynamic properties, enhancing their therapeutic potential.
Used in Drug Screening:
2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is used in drug screening assays to evaluate its potential as a therapeutic agent. Its biological activities can be assessed against various targets, such as enzymes, receptors, or cellular pathways, to identify potential applications in the treatment of diseases or conditions.
Used in Chemical Biology:
In chemical biology, 2-(benzylamino)-2-(1H-indol-3-yl)acetic acid is employed as a tool compound to probe the function and regulation of biological systems. Its interactions with cellular components can provide valuable information on the molecular mechanisms underlying various biological processes and diseases.
Used in Drug Formulation:
2-(benzylamino)-2-(1H-indol-3-yl)acetic acid can be used in drug formulation to improve the stability, solubility, and bioavailability of pharmaceutical agents. Its chemical properties can be exploited to develop novel drug delivery systems, enhancing the therapeutic efficacy and safety of the resulting formulations.

Check Digit Verification of cas no

The CAS Registry Mumber 130361-06-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,0,3,6 and 1 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 130361-06:
(8*1)+(7*3)+(6*0)+(5*3)+(4*6)+(3*1)+(2*0)+(1*6)=77
77 % 10 = 7
So 130361-06-7 is a valid CAS Registry Number.

130361-06-7Relevant articles and documents

Indolylglycines Backbones in the Synthesis of Enantiopure 3,3-Spiroindolenines, Indolyl Tetracyclic Hemiaminals, and 3-Indolyl-maleimides Frameworks

Markus, Jozef,Ferko, Branislav,Berke?, Du?an,Moncol, Ján,Lawson, Ata Martin,Othman, Mohamed,Da?ch, Adam

, p. 5662 - 5677 (2019/08/08)

This paper describes the synthesis of novel N-substituted 3-indolylglycines (3IGs), in high yields and optical purity via three-component Mannich reaction (3CR) of indole and free glyoxylic acid in the presence of primary and secondary aliphatic amines. By using this efficient approach, a series of racemic 3-indolylglycines (3IGs) as well as the optically pure (S)-3-indolylglycine ((S)-3IG) in multigram synthesis using (R-1-phenylethylamine ((R)-α-PEA) as chiral pool were synthetized. In parallel investigations, 3IGs were used as the starting material for the highly stereoselective synthesis of spiroindolenines bearing three controlled contiguous stereogenic centers. Despite our expectations, the N-chloroacetyl esters of 3IGs did not provide the expected spiroindolenine derivatives but led us to the discovery of a new methodology for the preparation of 3-indolylmaleimides (3IMs); compounds known for their broad range of important biological and fluorescence activities.

Efficient one-pot synthesis of indol-3-yl-glycines via uncatalyzed friedel-crafts reaction in water

Ghandi, Mehdi,Taheri, Abuzar

experimental part, p. 1056 - 1061 (2009/10/10)

The three component reaction of primary aliphatic amines, glyoxalic acid and indole or N-methylindole in water at ambient temperature affords indol-3-yl or Nmethylindol-3-yl-glycine in almost quantitative yields.

α-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents

-

, (2008/06/13)

Provided are novel α-aminoindole-3-acetic acid derivatives having the formula STR1 wherein R through R9 are as defined in the specification, and pharmacologically acceptable salts of compounds wherein R9 is not OM, which are useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents.

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