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5-(tert-Butoxycarbonylamino-methyl)-2-methyl-benzoic acid is a chemical compound derived from benzoic acid, featuring a tert-butoxycarbonyl group and an amino-methyl group attached to the benzene ring, along with a methyl group at the 2-position. This structural complexity suggests potential applications in various fields, including pharmaceuticals and organic synthesis.

165950-06-1

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165950-06-1 Usage

Uses

Used in Pharmaceutical Industry:
5-(tert-Butoxycarbonylamino-methyl)-2-methyl-benzoic acid is used as a building block for the synthesis of pharmaceutical compounds due to its unique structural features, which may contribute to the development of new drugs with specific therapeutic properties.
Used in Organic Synthesis:
In the field of organic synthesis, 5-(tert-Butoxycarbonylamino-methyl)-2-methyl-benzoic acid serves as an intermediate or a precursor for the creation of more complex organic molecules, potentially leading to advancements in material science and chemical research.
(Note: The specific applications and uses mentioned are hypothetical and would require further research and testing to validate their practicality and effectiveness.)

Check Digit Verification of cas no

The CAS Registry Mumber 165950-06-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,5,9,5 and 0 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 165950-06:
(8*1)+(7*6)+(6*5)+(5*9)+(4*5)+(3*0)+(2*0)+(1*6)=151
151 % 10 = 1
So 165950-06-1 is a valid CAS Registry Number.

165950-06-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(((tert-butoxycarbonyl)amino)methyl)-2-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names 5-N-tert-butoxycarbonylmethylamino-2-methylbenzoic acid

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:165950-06-1 SDS

165950-06-1Relevant academic research and scientific papers

PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS

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Page/Page column 36; 53, (2013/06/05)

The present patent application is directed to bicyclic compounds of formula (I) or pharmaceutically acceptable salt thereof as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (m PGES-1) enzyme and are theref

COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES

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Page/Page column 30, (2011/11/12)

Described herein are compounds and compositions, and methods for using the compounds and compositions, for treating respiratory diseases and illness, such as severe acute respiratory syndrome (SARS).

Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome - Coronavirus papain-like protease

Ghosh, Arun K.,Takayama, Jun,Aubin, Yoann,Ratia, Kiira,Chaudhuri, Rima,Baez, Yahira,Sleeman, Katrina,Coughlin, Melissa,Nichols, Daniel B.,Mulhearn, Debbie C.,Prabhakar, Bellur S.,Baker, Susan C.,Johnson, Michael E.,Mesecar, Andrew D.

experimental part, p. 5228 - 5240 (2010/03/04)

We describe here the design, synthesis, molecular modeling, and biological evaluation of a series of small molecule, nonpeptide inhibitors of SARS-CoV PLpro. Our initial lead compound was identified via high-throughput screening of a diverse chemical library. We subsequently carried out structure - activity relationship studies and optimized the lead structure to potent inhibitors that have shown antiviral activity against SARS-CoV infected Vero E6 cells. Upon the basis of the X-ray crystal structure of inhibitor 24-bound to SARS-CoV PLpro, a drug design template was created. Our structure-based modification led to the design of a more potent inhibitor, 2 (enzyme IC50 = 0.46 μM; antiviral EC50 = 6 μM). Interestingly, its methylamine derivative, 49, displayed good enzyme inhibitory potency (IC50 = 1.3 μM) and the most potent SARS antiviral activity (EC50 = 5.2 μM) in the series. We have carried out computational docking studies and generated a predictive 3D-QSAR model for SARS-CoV PLpro inhibitors.

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