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CAS

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947494-53-3

Methyl 5-amino-2-cyanobenzoate is a chemical compound with the molecular formula C9H8N2O2. It is a methyl ester derivative of 5-amino-2-cyanobenzoic acid and is commonly used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. Methyl 5-amino-2-cyanobenzoate is a white to off-white crystalline powder that is sparingly soluble in water but soluble in organic solvents. It is also known by the trade name "Methyl 5-amino-o-cyanobenzoate" and is primarily used as a building block in the production of active pharmaceutical ingredients for a wide range of medications.

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  • 947494-53-3 Structure

  • Basic information

    1. Product Name: Methyl 5-amino-2-cyanobenzoate
    2. Synonyms: Methyl 5-amino-2-cyanobenzoate
    3. CAS NO:947494-53-3
    4. Molecular Formula: C9H8N2O2
    5. Molecular Weight: 176.17202
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 947494-53-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 384.5±32.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.26±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 0.58±0.10(Predicted)
    10. CAS DataBase Reference: Methyl 5-amino-2-cyanobenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 5-amino-2-cyanobenzoate(947494-53-3)
    12. EPA Substance Registry System: Methyl 5-amino-2-cyanobenzoate(947494-53-3)

  • 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: 947494-53-3(Hazardous Substances Data)

947494-53-3 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 5-amino-2-cyanobenzoate is used as an intermediate for the synthesis of various drugs, playing a crucial role in the development of active pharmaceutical ingredients for a wide range of medications.
Used in Research and Development:
Methyl 5-amino-2-cyanobenzoate is also utilized in research and development for the creation of new pharmaceuticals, contributing to the advancement of drug discovery and innovation in the pharmaceutical field.

Check Digit Verification of cas no

The CAS Registry Mumber 947494-53-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,7,4,9 and 4 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 947494-53:
(8*9)+(7*4)+(6*7)+(5*4)+(4*9)+(3*4)+(2*5)+(1*3)=223
223 % 10 = 3
So 947494-53-3 is a valid CAS Registry Number.

947494-53-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-amino-2-cyanobenzoic acid methyl ester

1.2 Other means of identification

Product number -
Other names METHYL 5-AMINO-2-CYANOBENZOATE

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:947494-53-3 SDS

947494-53-3Relevant articles and documents

THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF

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Paragraph 0142; 0145-146, (2020/08/09)

The present invention relates to a class of thienodiazepine derivatives and an application thereof in the preparation of a drug for the treatment of diseases associated with bromodomain and extra-terminal (BET) Bromodomain inhibitors. Specifically, the present invention relates to compounds represented by formulas (I) and (II), as well as pharmaceutically acceptable salts thereof.

TGF-betaR1 inhibitor and application thereof

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, (2020/06/09)

The invention belongs to the field of medical chemistry, and particularly relates to a compound serving as a TGF-betaR1 inhibitor and application of the compound. Specifically, the invention providesa compound shown as a formula I or an isomer, a pharmaceutically acceptable salt, a solvate, a crystal or a prodrug thereof, a preparation method of the compounds, a pharmaceutical composition containing the compounds and application of the compounds or the composition to treatment and/or prevention of TGF-betaR1 related diseases, such as cancers, tissue hyperplasia diseases, fibrosis and inflammatory diseases. The compound provided by the invention shows significant inhibitory activity on TGF-betaR1 kinase, and is very expected to become a therapeutic agent for TGF-betaR1 related diseases.

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