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  • 592542-51-3 Structure
  • Basic information

    1. Product Name: 4-Methoxy-3-nitrobenzylsulfonylacetic acid
    2. Synonyms: 3-NITRO-4-METHOXYBENZYLSULFONYLACETIC ACID;2-(4-Methoxy-3-nitrobenzylsulfonyl)acetic acid;4-Methoxy-3-nitrobenzylsulfonylacetic acid;2-(4-Methoxy-3-nitrobenzylsulfonyl);3-NITRO-4-MITHOXY BENZYL SULFONYL ACETIC ACID;3-Nitro-4-methoxy benzoyl sulfonyl acetic acid
    3. CAS NO:592542-51-3
    4. Molecular Formula: C10H11NO7S
    5. Molecular Weight: 289.26
    6. EINECS: 1312995-182-4
    7. Product Categories: N/A
    8. Mol File: 592542-51-3.mol
    9. Article Data: 10
  • Chemical Properties

    1. Melting Point: 137-139 °C
    2. Boiling Point: 627.1 °C at 760 mmHg
    3. Flash Point: 333 °C
    4. Appearance: /
    5. Density: 1.520
    6. Vapor Pressure: 1.37E-16mmHg at 25°C
    7. Refractive Index: 1.582
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 2.39±0.10(Predicted)
    11. CAS DataBase Reference: 4-Methoxy-3-nitrobenzylsulfonylacetic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Methoxy-3-nitrobenzylsulfonylacetic acid(592542-51-3)
    13. EPA Substance Registry System: 4-Methoxy-3-nitrobenzylsulfonylacetic acid(592542-51-3)
  • 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: 592542-51-3(Hazardous Substances Data)

592542-51-3 Usage

Description

4-Methoxy-3-nitrobenzylsulfonylacetic acid is a chemical compound characterized by the molecular formula C11H11NO7S. It is a derivative of 4-methoxybenzylsulfonylacetic acid, featuring a nitro group at the 3-position on the benzene ring. 4-Methoxy-3-nitrobenzylsulfonylacetic acid has garnered interest due to its potential pharmacological and biological activities, making it a promising candidate for research and development in the fields of medicine and pharmaceuticals.

Uses

Used in Organic Synthesis:
4-Methoxy-3-nitrobenzylsulfonylacetic acid is utilized as a reagent in organic synthesis for its unique chemical properties, facilitating the creation of various complex organic molecules and contributing to the advancement of chemical research.
Used in Pharmaceutical Development:
As a potential antihypertensive agent, 4-Methoxy-3-nitrobenzylsulfonylacetic acid is used in the development of new drugs for the treatment of high blood pressure. Its pharmacological properties are being studied to understand its effects on blood pressure regulation and its potential as a therapeutic intervention.
Used in Medicinal Research:
4-Methoxy-3-nitrobenzylsulfonylacetic acid is employed in medicinal research to explore its biological activities and potential applications in treating various health conditions. Its chemical structure provides a foundation for further modification and optimization to enhance its therapeutic efficacy.

Check Digit Verification of cas no

The CAS Registry Mumber 592542-51-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,9,2,5,4 and 2 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 592542-51:
(8*5)+(7*9)+(6*2)+(5*5)+(4*4)+(3*2)+(2*5)+(1*1)=173
173 % 10 = 3
So 592542-51-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NO7S/c1-18-9-3-2-7(4-8(9)11(14)15)5-19(16,17)6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)

592542-51-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid

1.2 Other means of identification

Product number -
Other names 2-[(4-methoxy-3-nitrophenyl)methylsulfonyl]acetic 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:592542-51-3 SDS

592542-51-3Relevant articles and documents

Method for preparing new anti-tumor drug Rigosertib

-

, (2020/04/29)

The invention relates to a method for preparing new anti-tumor drug Rigosertib. By adopting the method provided by the invention, the post-treatment of each step is simple to operate, the target product can be obtained, and the operability of industrial p

Design, synthesis and evaluation of 3-substituted coumarin derivatives as anti-inflammatory agents

Liu, Shuchen,Peng, Tao,Sun, Yunbo,Wang, Gang,Wang, Lin,Wang, Tao,Wen, Xiaoxue,Zhang, Shouguo

, p. 443 - 446 (2020/09/09)

Coumarin moiety has garnered momentous attention especially in the design of compounds with significant biological activities. In this work, a series of 3-substituted coumarin derivatives 6a-6l were synthesized and fully characterized. Most of the compoun

Discovery of a clinical stage multi-kinase inhibitor sodium (E)-2-{2-methoxy-5-[(2′,4′,6′-trimethoxystyrylsulfonyl)methyl] phenylamino}acetate (ON 01910.Na): Synthesis, structure-activity relationship, and biological activity

Reddy, M. V. Ramana,Venkatapuram, Padmavathi,Mallireddigari, Muralidhar R.,Pallela, Venkat R.,Cosenza, Stephen C.,Robell, Kimberly A.,Akula, Balaiah,Hoffman, Benjamin S.,Reddy, E. Premkumar

, p. 6254 - 6276 (2011/11/01)

Cyclin D proteins are elevated in many cancer cells, and targeted deletion of cyclin D1 gene in the mammary tissues protects mice from breast cancer. Accordingly, there is an increasing awareness of this novel nonenzymatic target for cancer therapeutics. We have developed novel, nonalkylating styrylbenzylsulfones that induce cell death in wide variety of cancer cells without affecting the proliferation and survival of normal cells. The development of derivatized styrylbenzylsulfones followed logically from a tumor cell cytotoxicity screen performed in our laboratory that did not have an a priori target profile. Modifications of some of the precursor molecules led to lead optimization with regard to tumor cell cytotoxicity. In this report we describe the synthesis and structure-activity relationships of novel, nonalkylating (E)-styrylbenzylsulfones and the development of the novel anticancer agent sodium (E)-2-{2-methoxy-5-[(2′,4′,6′- trimethoxystyrylsulfonyl)methyl]phenylamino}acetate (ON 01910.Na), which is in phase III trials for myelodysplastic syndromes (MDS) associated with aberrant expression of cyclin D proteins.

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