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METHYL 3-([(4-METHYLPHENYL)SULFONYL]AMINO)-2-THIOPHENECARBOXYLATE is a chemical compound characterized by its white to off-white powder form and solubility in organic solvents. It features a sulfonamide group, making it a significant building block for the synthesis of sulfonamide-containing pharmaceuticals. Its unique structure and properties also contribute to its potential applications in the development of new materials and organic compounds, particularly in the field of heterocyclic chemistry, specifically in the synthesis of thiophene derivatives.

79128-72-6

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79128-72-6 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 3-([(4-METHYLPHENYL)SULFONYL]AMINO)-2-THIOPHENECARBOXYLATE is used as a key intermediate in the synthesis and production of various pharmaceuticals. Its presence of a sulfonamide group makes it a valuable component for creating sulfonamide-containing drugs, which are known for their broad-spectrum antimicrobial properties.
Used in Agrochemical Industry:
In the agrochemical sector, METHYL 3-([(4-METHYLPHENYL)SULFONYL]AMINO)-2-THIOPHENECARBOXYLATE serves as a crucial compound in the development of new agrochemicals. Its unique structure and properties contribute to the creation of effective and innovative products for agricultural applications.
Used in Heterocyclic Chemistry:
METHYL 3-([(4-METHYLPHENYL)SULFONYL]AMINO)-2-THIOPHENECARBOXYLATE is utilized as a building block in the synthesis of thiophene derivatives, which are important in heterocyclic chemistry. Thiophene derivatives have a wide range of applications, including as pharmaceuticals, agrochemicals, and materials for various industries.
Used in Material Science:
Due to its unique structure and properties, METHYL 3-([(4-METHYLPHENYL)SULFONYL]AMINO)-2-THIOPHENECARBOXYLATE has potential applications in the development of new materials and organic compounds. Its versatility allows for its use in various material science applications, contributing to the advancement of innovative materials with improved properties and performance.

Check Digit Verification of cas no

The CAS Registry Mumber 79128-72-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,1,2 and 8 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 79128-72:
(7*7)+(6*9)+(5*1)+(4*2)+(3*8)+(2*7)+(1*2)=156
156 % 10 = 6
So 79128-72-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H13NO4S2/c1-9-3-5-10(6-4-9)20(16,17)14-11-7-8-19-12(11)13(15)18-2/h3-8,14H,1-2H3

79128-72-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:79128-72-6 SDS

79128-72-6Relevant academic research and scientific papers

Synthesis of Azepino[1,2-a]indole-10-amines via [6+1] Annulation of Ynenitriles with Reformatsky Reagent

Iioka, Ryoya,Yorozu, Kohei,Sakai, Yoko,Kawai, Rika,Hatae, Noriyuki,Takashima, Katsuki,Tanabe, Genzoh,Wasada, Hiroaki,Yoshimatsu, Mitsuhiro

supporting information, p. 1553 - 1558 (2021/02/26)

Lewis acid-catalyzed [6+1] annulation reactions of 2-cyano-1-propargyl- and 2-alkynyl-1-cyanomethyl-indoles with Reformatsky reagent are described. 8-Aryl, 8-alkyl-, 8-hetaryl-, 9-aryl, and 9-alkyl-azepino[1,2-a]indole amines were obtained through a 7-endo-mode cyclization of the β-aminoacrylate intermediates. The antiproliferative activity of the azepino[1,2-a]indoles analogs against the HCT-116 cells were also examined.

Design, structure-activity relationship study and biological evaluation of the thieno[3,2-c]isoquinoline scaffold as a potential anti-cancer agent

Liu, Jiang Tian,Jaunky, Dilan B.,Larocque, Kevin,Chen, Fei,Mckibbon, Keegan,Sirouspour, Mehdi,Taylor, Sarah,Shafeii, Alexandre,Campbell, Donald,Braga, Helena,Piekny, Alisa,Forgione, Pat

supporting information, (2021/10/04)

Several derivatives of a series that share a thienoisoquinoline scaffold have demonstrated potent activity against cancer cell lines A549, HeLa, HCT-116, and MDA-MB-231 in the submicromolar concentration range. Structure-activity relationship (SAR) studies on a range of derivatives aided in identifying key pharmacophores in the lead compound. A series of compounds have been identified as the most promising with submicromolar IC50 values against a lung cancer cell line (A549). Microscopy studies of cancer cells treated with the lead compound revealed that it causes mitotic arrest and disrupts microtubules. Further evaluation via an in vitro microtubule polymerization assay and competition studies indicate that the lead compound binds to tubulin via the colchicine site.

Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations

Xu, Zi-Yue,Luo, Yi,Zhang, Dan-Wei,Wang, Hui,Sun, Xing-Wen,Li, Zhan-Ting

supporting information, p. 136 - 143 (2020/01/21)

Two rigid porous organic polymers (Ir-POP-1 and Ir-POP-2) were prepared from the coupling reactions of tetraphenylmethane tetraborate and two [Ir(ppy)2(dtbbpy)]+-based bitopic linkers and applied as heterogeneous visible-light photocatalysts for organic transformations. Ir-POP-2 was found to exhibit high catalytic activity for a wide range of organic reactions, which include Smiles-Truce rearrangement of alkyliodides, desulfurative conjugate addition to Michael acceptors, and aerobic oxidations of sulfides and arylboronic acids. For all the transformations, Ir-POP-2 could achieve heterogeneous photocatalytic efficiency that rivals that of the homogeneous prototype iridium complexes. This remarkably high photocatalytic performance has been attributed to the large pore size of the conjugated backbone. The new heterogeneous photocatalyst was also highly stable to achieve good recyclability for all the studied reactions and could be reused eight to nineteen times.

Synthesis and SAR studies of novel 1,2,4-oxadiazole-sulfonamide based compounds as potential anticancer agents for colorectal cancer therapy

Abid, Mohammad,Alajmi, Mohamed F.,Garrison, Jered,Hasan, Phool,Hussain, Afzal,Imtaiyaz Hassan, Md,Khan, Parvez,King, Hannah M.,Queen, Aarfa,Rana, Sandeep,Rizvi, M. Moshahid Alam,Shamsi, Farheen,Zahid, Muhammad,Zeya, Bushra

, (2020/03/23)

A diverse series of 1,2,4-oxadiazoles based substituted compounds were designed, synthesized and evaluated as anticancer agents targeting carbonic anhydrase IX (CAIX). Initial structure-activity analysis suggested that the thiazole/thiophene-sulfonamide conjugates of 1,2,4-oxadiazoles exhibited potent anticancer activities with low μM potencies. Compound OX12 exhibited antiproliferative activity (IC50 = 11.1 μM) along with appreciable inhibition potential for tumor-associated CAIX (IC50 = 4.23 μM) isoform. Therefore, OX12 was structurally optimized and its SAR oriented derivatives (OX17-27) were synthesized and evaluated. This iteration resulted in compound OX27 with an almost two-fold increase in antiproliferative effect (IC50 = 6.0 μM) comparable to the clinical drug doxorubicin and significantly higher potency against CAIX (IC50 = 0.74 μM). Additionally, OX27 treatment decreases the expression of CAIX, induces apoptosis and ROS production, inhibited colony formation and migration of colon cancer cells. Our studies provide preclinical rational for the further optimization of identified OX27 as a suitable lead for the possible treatment of CRC.

Visible Light Mediated Aryl Migration by Homolytic C?N Cleavage of Aryl Amines

Alpers, Dirk,Cole, Kevin P.,Stephenson, Corey R. J.

supporting information, p. 12167 - 12170 (2018/09/11)

The photocatalytic preparation of aminoalkylated heteroarenes from haloalkylamides via a 1,4-aryl migration from nitrogen to carbon, conceptually analogous to a radical Smiles rearrangement, is reported. This method enables the substitution of amino group

Iridium- and Rhodium-Catalyzed Directed C-H Heteroarylation of Benzaldehydes with Benziodoxolone Hypervalent Iodine Reagents

Grenet, Erwann,Waser, Jér?me

supporting information, p. 1473 - 1476 (2018/03/09)

The C-H heteroarylation of benzaldehydes with indoles and pyrroles was realized using the benziodoxolone hypervalent iodine reagents indole- and pyrroleBX. Functionalization of the aldehyde C-H bond using either an o-hydroxy or amino directing group and catalyzed by an iridium or a rhodium complex allowed the synthesis of salicyloylindoles and (2-sulfonamino)benzoylindoles, respectively, with good to excellent yields (74-98%). This new transformation could be carried out under mild conditions (rt to 40 °C) and tolerated a broad range of functionalities, such as ethers, halogens, carbonyls, or nitro groups.

A one-pot double C-H activation palladium catalyzed route to a unique class of highly functionalized thienoisoquinolines

Wong, Nicholas W. Y.,Forgione, Pat

supporting information; experimental part, p. 2738 - 2741 (2012/07/14)

The synthesis of a unique class of highly functionalized 3,4-thienoisoquinolines via an efficient palladium-catalyzed one-pot, regioselective double C-H activation is presented. This class of biologically relevant compounds has been prepared in five steps from commercially available starting materials with overall yields ranging from 27 to 62%. A masked carboxylic acid was used to direct C-H activation to the typically less reactive C4 position. Additionally, the carboxylic acid provides a synthetically useful handle for further functionalization.

THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR

-

Page/Page column 56-57, (2009/05/29)

Provided are compounds of Formula (I) or of Formula (II) that are modulators of CCR9 receptor activity, compositions containing the compounds and methods of use of the compounds and compositions. In certain embodiments, provided are methods for treating or amelioratin diseases associated with modulation of CCR9 receptor activity.

Microwave-induced rapid access to aromatic and heteroaromatic sulfonamides under solvent-free conditions without using external base

Sharma, Ashwani Kumar,Das, Saibal Kumar

, p. 3807 - 3819 (2007/10/03)

Microwave-induced syntheses of sulfonamides, without using base under solvent-free conditions, have been developed. The process finds its utility because of its simple operational procedure and high yields. Moreover, the process is fast and accommodative to different substituents on aromatic as well as heteroaromatic rings rendering sulfonamides (28 examples).

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