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CAS

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863492-35-7

2-Aminoquinoline-6-carboxylic acid benzyl ester, also known as AQ-6-CBE, is a chemical compound characterized by a quinoline ring with an amino group at the 2-position and a carboxylic acid group at the 6-position, esterified with a benzyl group. It serves as a versatile building block in the synthesis of pharmaceutical compounds and organic molecules, with potential applications in drug discovery, particularly for antimalarial and antitumor agents, due to its structural similarity to naturally occurring bioactive molecules.

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  • 863492-35-7 Structure

  • Basic information

    1. Product Name: 2-Aminoquinoline-6-carboxylic acid benzyl ester
    2. Synonyms: 2-Aminoquinoline-6-carboxylic acid benzyl ester;benzyl 2-aminoquinoline-6-carboxylate
    3. CAS NO:863492-35-7
    4. Molecular Formula: C17H14N2O2
    5. Molecular Weight: 278.31
    6. EINECS: N/A
    7. Product Categories: Heterocycles
    8. Mol File: 863492-35-7.mol

  • Chemical Properties

    1. Melting Point: 199-202 ºC
    2. Boiling Point: 480.7 °C at 760 mmHg
    3. Flash Point: 244.5 °C
    4. Appearance: /
    5. Density: 1.278
    6. Vapor Pressure: 2.12E-09mmHg at 25°C
    7. Refractive Index: 1.684
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 5.65±0.43(Predicted)
    11. CAS DataBase Reference: 2-Aminoquinoline-6-carboxylic acid benzyl ester(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Aminoquinoline-6-carboxylic acid benzyl ester(863492-35-7)
    13. EPA Substance Registry System: 2-Aminoquinoline-6-carboxylic acid benzyl ester(863492-35-7)

  • 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: 863492-35-7(Hazardous Substances Data)

863492-35-7 Usage

Uses

Used in Pharmaceutical Industry:
2-Aminoquinoline-6-carboxylic acid benzyl ester is used as a building block for the synthesis of various pharmaceutical compounds, particularly for the development of antimalarial and antitumor agents. Its structural similarity to naturally occurring bioactive molecules makes it a promising candidate for drug discovery.
Used in Organic Chemistry Research:
2-Aminoquinoline-6-carboxylic acid benzyl ester is used as a versatile intermediate in the construction of complex molecules, contributing to the advancement of organic chemistry.
Used in Biomolecular Labeling and Imaging Studies:
2-Aminoquinoline-6-carboxylic acid benzyl ester is used as a fluorescent tag for biomolecular labeling and imaging studies, enabling researchers to visualize and track specific biomolecules within biological systems.

Check Digit Verification of cas no

The CAS Registry Mumber 863492-35-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,3,4,9 and 2 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 863492-35:
(8*8)+(7*6)+(6*3)+(5*4)+(4*9)+(3*2)+(2*3)+(1*5)=197
197 % 10 = 7
So 863492-35-7 is a valid CAS Registry Number.
InChI:InChI=1/C17H14N2O2/c18-16-9-7-13-10-14(6-8-15(13)19-16)17(20)21-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)

863492-35-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl 2-aminoquinoline-6-carboxylate

1.2 Other means of identification

Product number -
Other names FD7381

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:863492-35-7 SDS

863492-35-7Relevant articles and documents

Discovery of microsomal triglyceride transfer protein (MTP) inhibitors with potential for decreased active metabolite load compared to dirlotapide

Robinson, Ralph P.,Bartlett, Jeremy A.,Bertinato, Peter,Bessire, Andrew J.,Cosgrove, Judith,Foley, Patrick M.,Manion, Tara B.,Minich, Martha L.,Ramos, Brenda,Reese, Matthew R.,Schmahai, Theodore J.,Swick, Andrew G.,Tess, David A.,Vaz, Alfin,Wolford, Angela

, p. 4150 - 4154 (2011/08/06)

Analogues related to dirlotapide (1), a gut-selective inhibitor of microsomal triglyceride transfer protein (MTP) were prepared with the goal of further reducing the potential for unwanted liver MTP inhibition and associated side-effects. Compounds were designed to decrease active metabolite load: reducing MTP activity of likely human metabolites and increasing metabolite clearance to reduce exposure. Introduction of 4′-alkyl and 4′-alkoxy substituents afforded compounds exhibiting improved therapeutic index in rats with respect to liver triglyceride accumulation and enzyme elevation. Likely human metabolites of select compounds were prepared and characterized for their potential to inhibit MTP in vivo. Based on preclinical efficacy and safety data and its potential for producing short-lived, weakly active metabolites, compound 13 (PF-02575799) advanced into phase 1 clinical studies.

Safe and practical large-scale synthesis of 2-aminoquinoline-6-carboxylic acid benzyl ester

Couturier, Michel,Le, Tung

, p. 534 - 538 (2012/12/22)

An efficient three-step sequence has been developed for the synthesis of 2-aminoquinoline-6-carboxylic acid benzyl ester starting from commercially available 6-quinolinecarboxylic acid. The process features a novel and exceptionally mild conversion of a q

SUBSTITUTED QUINOLINE COMPOUNDS

-

Page/Page column 83, (2008/06/13)

This invention relates to MTP/Apo-B secretion inhibitors of Formula (I) wherein R1-R7, X1, m and n are as defined in the specification, as well as pharmaceutical compositions comprising the compounds, and methods of use of the compounds and compositions. The compounds of the invention are useful in treating obesity and associated diseases, conditions or disorders.

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