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3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER, also known as Methyl 3-amino-5-cyanobenzoate, is a chemical compound characterized by the molecular formula C10H8N2O2. It is a methyl ester derivative of 3-amino-5-cyanobenzoic acid, known for its yellow powder form and solubility in organic solvents with slight solubility in water. 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER is recognized for its chemical reactivity and versatility, making it a valuable building block in organic synthesis.

199536-01-1

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199536-01-1 Usage

Uses

Used in Pharmaceutical Industry:
3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER is used as a synthetic intermediate for the development of various pharmaceutical compounds. Its chemical properties allow it to be a key component in the creation of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER is utilized as a precursor in the synthesis of agrochemicals. Its reactivity and structural features make it suitable for the production of pesticides and other agricultural chemicals, enhancing crop protection and yield.
Used in Dye Stuffs Industry:
3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER is employed as a building block in the dye industry for the synthesis of various dyes and pigments. Its chemical versatility supports the development of a wide range of colorants used in different applications, including textiles, plastics, and printing inks.
It is important to handle and use 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER according to proper safety guidelines and regulations to ensure its safe application and handling in these industries.

Check Digit Verification of cas no

The CAS Registry Mumber 199536-01-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,9,5,3 and 6 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 199536-01:
(8*1)+(7*9)+(6*9)+(5*5)+(4*3)+(3*6)+(2*0)+(1*1)=181
181 % 10 = 1
So 199536-01-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H8N2O2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,11H2,1H3

199536-01-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-amino-5-cyanobenzoate

1.2 Other means of identification

Product number -
Other names methyl 3-azanyl-5-cyano-benzoate

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:199536-01-1 SDS

199536-01-1Relevant academic research and scientific papers

Evaluation of the Synthetic Potential of an AHBA Knockout Mutant of the Rifamycin Producer Amycolatopsis mediterranei

Bu?yszko, Ilona,Dr?ger, Gerald,Klenge, Anja,Kirschning, Andreas

supporting information, p. 19231 - 19242 (2016/01/26)

Supplementing an AHBA(-) mutant strain of Amycolatopsis mediterranei, the rifamycin producer, with a series of benzoic acid derivatives yielded new tetraketides containing different phenyl groups. These mutasynthetic studies revealed unique reductive properties of A. mediterranei towards nitro- and azidoarenes, leading to the corresponding anilines. In selected cases, the yields of mutaproducts (fermentation products isolated after feeding bacteria with chemically prepared analogs of natural building blocks) obtained are in a range (up to 118 mg L-1) that renders them useful as chiral building blocks for further synthetic endeavors. The configuration of the stereogenic centers at C6 and C7 was determined to be 6R,7S for one representative tetraketide. Importantly, processing beyond the tetraketide stage is not always blocked when the formation of the bicyclic naphthalene precursor cannot occur. This was proven by formation of a bromo undecaketide, an observation that has implications regarding the evolutionary development of rifamycin biosynthesis.

CYTOKINE INHIBITORS

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Page/Page column 55, (2011/11/30)

Provided is a compound of Formula (I): and/or at least one pharmaceutically acceptable salt thereof. Also provided are a method of inhibiting the activity of at least one protein chosen from TNFα, IL-1β, NF-κB, IL-10 and iNOS, a method of decreasing a lev

CYTOKINE INHIBITORS

-

Page/Page column 29, (2009/05/28)

A compound of Formula I: Each variable is defined in the specification. This invention relates to a method of decreasing a level of a cytokine (e.g., TNFα or interlukine such as IL-1β) in a subject with a compound of Formula I. It also relates to a method

Improving implant materials by coating with nonpeptidic, highly specific integrin ligands

Dahmen, Claudia,Auernheimer, Joerg,Meyer, Axel,Enderle, Anja,Goodman, Simon L.,Kessler, Horst

, p. 6649 - 6652 (2007/10/03)

Giving cells some stick: Osteoblast adhesion to titanium, a common material for implants, is stimulated by coating with an optimized and highly specific nonpeptidic ligand for the αvβ3 integrin (see picture). This new technology is advantageous to conventional coating by peptides or proteins in many practical aspects (selectivity and activity, stability against enzymatic degradation, sterilization, costs).

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

-

, (2008/06/13)

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design

Chand, Pooran,Babu, Yarlagadda S.,Bantia, Shanta,Chu, Naiming,Cole, L. Brent,Kotian, Pravin L.,Laver, W. Graeme,Montgomery, John A.,Pathak, Ved P.,Petty, Sandra L.,Shrout, David P.,Walsh, David A.,Walsh, Gerald M.

, p. 4030 - 4052 (2007/10/03)

A series of 94 benzoic acid derivatives was synthesized and tested for its ability to inhibit influenza neuraminidase. The enzyme-inhibitor complex structure was determined by X-ray crystallographic analysis for compounds which inhibited the enzyme. The most potent compound tested in vitro, 5 (4- (acetylamino)-3-guanidinobenzoic acid), had an IC50 = 2.5 x 10-6 M against N9 neuraminidase. Compound 5 was oriented in the active site of the neuraminidase in a manner that was not predicted from the reported active site binding of GANA (4) with neuraminidase. In a mouse model of influenza, 5 did not protect the mice from weight loss due to the influenza virus when dosed intranasally.

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