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4-Ethanesulfonyl-benzonitrile, a chemical compound with the molecular formula C9H9NO2S, is a white to light brown powder. It is utilized in the synthesis of pharmaceuticals and organic compounds, serving as a crucial intermediate in the production of drugs, dyes, and agrochemicals. This versatile compound also holds potential as a building block in the development of new materials and chemical processes. Due to its potential hazardous effects, it is essential to handle 4-ethanesulfonyl-benzonitrile with care.

409112-19-2

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409112-19-2 Usage

Uses

Used in Pharmaceutical Industry:
4-Ethanesulfonyl-benzonitrile is used as a key intermediate for the synthesis of various drugs. Its unique chemical structure allows it to be incorporated into the development of new pharmaceutical compounds, contributing to the advancement of medicinal chemistry.
Used in Dye Industry:
In the dye industry, 4-ethanesulfonyl-benzonitrile is used as a precursor in the production of dyes. Its chemical properties enable the creation of a wide range of dyes with different color characteristics, enhancing the variety of dyes available for various applications.
Used in Agrochemical Industry:
4-Ethanesulfonyl-benzonitrile is utilized as an intermediate in the synthesis of agrochemicals, such as pesticides and herbicides. Its role in the development of these products helps improve agricultural productivity and crop protection.
Used in Material Science:
As a building block in material science, 4-ethanesulfonyl-benzonitrile is used in the development of new materials and chemical processes. Its unique properties allow for the creation of innovative materials with potential applications in various industries, including electronics, plastics, and coatings.
Used in Chemical Research:
4-Ethanesulfonyl-benzonitrile serves as a valuable compound in chemical research, providing scientists with a versatile platform to explore new reactions and synthesis pathways. Its use in research contributes to the expansion of chemical knowledge and the discovery of novel applications.

Check Digit Verification of cas no

The CAS Registry Mumber 409112-19-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,0,9,1,1 and 2 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 409112-19:
(8*4)+(7*0)+(6*9)+(5*1)+(4*1)+(3*2)+(2*1)+(1*9)=112
112 % 10 = 2
So 409112-19-2 is a valid CAS Registry Number.

409112-19-2Relevant academic research and scientific papers

Indole-like derivatives and application thereof

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Paragraph 0089; 0092-0093, (2021/05/08)

The invention relates to indole-like derivatives and application thereof. The compounds have a structure as shown in a formula I. The compounds have ROR [gamma] t regulating activity and are expected to be used for preparing medicines for preventing and treating diseases related to ROR [gamma] t.

Ceramic boron carbonitrides for unlocking organic halides with visible light

Yuan, Tao,Zheng, Meifang,Antonietti, Markus,Wang, Xinchen

, p. 6323 - 6332 (2021/05/19)

Photochemistry provides a sustainable pathway for organic transformations by inducing radical intermediates from substrates through electron transfer process. However, progress is limited by heterogeneous photocatalysts that are required to be efficient, stable, and inexpensive for long-term operation with easy recyclability and product separation. Here, we report that boron carbonitride (BCN) ceramics are such a system and can reduce organic halides, including (het)aryl and alkyl halides, with visible light irradiation. Cross-coupling of halides to afford new C-H, C-C, and C-S bonds can proceed at ambient reaction conditions. Hydrogen, (het)aryl, and sulfonyl groups were introduced into the arenes and heteroarenes at the designed positions by means of mesolytic C-X (carbon-halogen) bond cleavage in the absence of any metal-based catalysts or ligands. BCN can be used not only for half reactions, like reduction reactions with a sacrificial agent, but also redox reactions through oxidative and reductive interfacial electron transfer. The BCN photocatalyst shows tolerance to different substituents and conserved activity after five recycles. The apparent metal-free system opens new opportunities for a wide range of organic catalysts using light energy and sustainable materials, which are metal-free, inexpensive and stable. This journal is

ROR [gamma]t inhibitor, preparation method and application thereof

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Paragraph 1892; 1894-1896, (2021/07/08)

The invention relates to the technical field of medicines, in particular to an ROR [gamma]t inhibitor, a preparation method and application thereof. The invention also relates to a pharmaceutical composition containing the compound, a method for preparing the pharmaceutical composition, and application of the compound or the pharmaceutical composition in treatment or prevention of ROR [gamma]t-mediated cancers, inflammations or autoimmune diseases of mammals, especially human beings.

Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists

Sun, Nannan,Huang, Yafei,Yu, Mingcheng,Zhao, Yunpeng,Chen, Ji-An,Zhu, Chenyu,Song, Meiqi,Guo, Huimin,Xie, Qiong,Wang, Yonghui

supporting information, (2020/07/21)

GSK805 (1) is a potent RORγt inverse agonist, but a drawback of 1 is its low solubility, leading to a limited absorption in high doses. We have explored detailed structure-activity relationship on the amide linker, biaryl and arylsulfonyl moieties of 1 trying to improve solubility while maintaining RORγt activity. As a result, a novel series of carboxyl-containing biaryl urea derivatives was discovered as potent RORγt inverse agonists with improved drug-like properties. Compound 3i showed potent RORγt inhibitory activity and subtype selectivity with an IC50 of 63.8 nM in RORγ FRET assay and 85 nM in cell-based RORγ-GAL4 promotor reporter assay. Reasonable inhibitory activity of 3i was also achieved in mouse Th17 cell differentiation assay (76percent inhibition at 0.3 μM). Moreover, 3i had greatly improved aqueous solubility at pH 7.4 compared to 1, exhibited decent mouse PK profile and demonstrated some in vivo efficacy in an imiquimod-induced psoriasis mice model.

Organic photoredox catalysis enabled cross-coupling of arenediazonium and sulfinate salts: Synthesis of (un)symmetrical diaryl/alkyl aryl sulfones

Chawla, Ruchi,Yadav, Lal Dhar S.

supporting information, p. 4761 - 4766 (2019/05/24)

We disclose herein the first transition-metal-and external oxidant/reductant-free visible-light-mediated synthesis of (un)symmetrical diaryl/alkyl aryl sulfones from arenediazonium tetrafluoroborates and sodium sulfinates using eosin Y as an organic photoredox catalyst. The utilization of visible light as an inexpensive and ecosustainable energy source, operational simplicity, ambient temperature and clean reaction in aqueous acetonitrile are the salient features of the developed protocol. The desired sulfones were also synthesized via a one-pot, two-step process directly from anilines and sulfinate salts in good to excellent yields.

BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME

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Paragraph 0057, (2019/05/10)

The present invention discloses a biaryl urea RORγt inhibitor, and specifically relates to a biaryl urea derivative, as represented by formula I, with an RORγt inhibiting activity, and a preparation process thereof, and a pharmaceutical composition comprising the compound. Further disclosed is use of the compound for treating an RORγt-related disease.

BIARYL COMPOUND, PREPARATION METHOD AND USE THEREFOR

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Paragraph 0238; 0245, (2020/01/02)

The present invention belongs to the technical field of chemical pharmaceuticals, and relates to a compound represented by general formula (I) or formula (II) and a preparation method thereof. The compounds are biaryl derivatives with RORγt activation activity. The biaryl derivatives disclosed in this invention can effectively activate the RORγt protein receptor, and thereby promote the differentiation of Th17 cells and increasing the production of IL-17, which can be used as an immune modulator for the treatment of various cancers or viral infection-related diseases.

A Convenient Synthesis of Sulfones via Light Promoted Coupling of Sodium Sulfinates and Aryl Halides

Chen, Lei,Liang, Jie,Chen, Zhen-yu,Chen, Jie,Yan, Ming,Zhang, Xue-jing

, p. 956 - 960 (2019/01/25)

A convenient and e?cient synthesis of sulfones from sulfinates and aryl halides was developed. The reaction occurred under UV irradiation without transition metal catalyst or photocatalyst. A radical pathway via single-electron transfer (SET) of electron donor-acceptor (EDA) complex was proposed based on UV-vis spectroscopy, radical inhibiting and trapping experiments. (Figure presented.).

SUBSTITUTED MORPHOLINE DERIVATIVES AS ROR GAMMA MODULATORS

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, (2018/07/29)

The present disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein ring A, R1, R2, R3, X1, X2, m and n are as defined herein, which are active as modulators of retinoid-related orphan receptor gamma t (RORyt). These compounds prevent, inhibit, or suppress the action of RORyt and are therefore useful in the treatment of RORyt mediated diseases, disorders, syndromes or conditions such as, e.g., pain, inflammation, COPD, asthma, rheumatoid arthritis, colitis, multiple sclerosis, psoriasis, neurodegenerative diseases and cancer. (I)

JNK INHIBITOR

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, (2010/02/09)

A JNK inhibitor containing a compound having an isoquinolinone skeleton or a salt thereof, such as a compound represented by the formula wherein ring A and ring B are each an optionally substituted benzene ring, X is -O-, -N=, -NR3- or -CHR3-, R2 is an acyl group, an optionally esterified or thioesterified carboxyl group, an optionally substituted carbamoyl group or an optionally substituted amino group and the like, a broken line shows a single bond or a double bond, and R1 is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like, and the like.

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