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1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE is a chemical compound characterized by a benzene ring with a chloromethyl group (CH3Cl) at the 1-position and two methylsulfonyl groups (CH3SO2) at the 3and 5-positions. It is a versatile intermediate in the synthesis of various organic compounds and finds applications in multiple industries.

39552-81-3

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39552-81-3 Usage

Uses

Used in Pharmaceutical Industry:
1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE is used as a chemical intermediate for the synthesis of pharmaceutical compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE serves as a precursor in the production of agrochemicals, aiding in the development of pesticides and other agricultural chemicals to enhance crop protection and yield.
Used in Dyes Industry:
1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE is utilized as a starting material in the synthesis of dyes, playing a crucial role in the creation of colorants for various applications, including textiles, plastics, and printing inks.
Used in Polymer Production:
1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE is employed in the production of polymers, where it contributes to the development of polymeric materials with specific properties, such as enhanced stability, reactivity, or functionality.
Used as a Solvent or Reagent:
1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE can also function as a solvent or a reagent in chemical reactions, facilitating various processes in the synthesis of different organic compounds.
Used in Synthesis of Functional Materials:
As a starting material, 1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE is involved in the synthesis of a range of functional materials, which can be applied in diverse fields, such as electronics, materials science, and nanotechnology.

Check Digit Verification of cas no

The CAS Registry Mumber 39552-81-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,5,5 and 2 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 39552-81:
(7*3)+(6*9)+(5*5)+(4*5)+(3*2)+(2*8)+(1*1)=143
143 % 10 = 3
So 39552-81-3 is a valid CAS Registry Number.

39552-81-3Relevant academic research and scientific papers

Coordination chemistry of flexible benzene-1,3,5-tricarboxamide derived carboxylates; Notable structural resilience and vaguely familiar packing motifs

Lynes, Amy D.,Hawes, Chris S.,Byrne, Kevin,Schmitt, Wolfgang,Gunnlaugsson, Thorfinnur

, p. 5259 - 5268 (2018)

Flexible benzene-1,3,5-tricarboxamides (BTAs), organic species well-known for their tendencies to form functional soft-materials by virtue of their complementary hydrogen bonding, are explored as structurally reinforcing supramolecular building blocks in

Iversatile bung intermediate II and synthetic method thereof

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Paragraph 0037-0039, (2021/11/10)

The invention relates to the field of pharmaceutical chemistry synthesis, and in particular relates to an immortal plug intermediate II and a synthesis method thereof. The synthesis method comprises the following steps of 4 - aminobenzene acetic acid and

HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR

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Page/Page column 130, (2020/09/03)

Disclosed are heterocyclic compounds as inhibitors of FGFR-4 represented by formula (I). Also disclosed is a pharmaceutical composition that includes an inhibitor of FGFR-4. The compounds maybe used to treat diseases mediated with abnormality of FGFR-4 and /or FGF19, such as hepatocellular carcinoma and other forms of cancer.

2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase

Bayliss, Richard,Boxall, Kathy,Carbain, Benoit,Coxon, Christopher R.,Fry, Andrew M.,Golding, Bernard T.,Griffin, Roger J.,Hardcastle, Ian R.,Harnor, Suzannah J.,Mas-Droux, Corine,Matheson, Christopher J.,Newell, David R.,Richards, Mark W.,Sivaprakasam, Mangaleswaran,Turner, David,Cano, Céline

supporting information, p. 707 - 731 (2020/08/24)

Renewed interest in covalent inhibitors of enzymes implicated in disease states has afforded several agents targeted at protein kinases of relevance to cancers. We now report the design, synthesis and biological evaluation of 6-ethynylpurines that act as covalent inhibitors of Nek2 by capturing a cysteine residue (Cys22) close to the catalytic domain of this protein kinase. Examination of the crystal structure of the non-covalent inhibitor 3-((6-cyclohexylmethoxy-7H-purin-2-yl)amino)benzamide in complex with Nek2 indicated that replacing the alkoxy with an ethynyl group places the terminus of the alkyne close to Cys22 and in a position compatible with the stereoelectronic requirements of a Michael addition. A series of 6-ethynylpurines was prepared and a structure activity relationship (SAR) established for inhibition of Nek2. 6-Ethynyl-N-phenyl-7H-purin-2-amine [IC50 0.15 μM (Nek2)] and 4-((6-ethynyl-7H-purin-2-yl)amino)benzenesulfonamide (IC50 0.14 μM) were selected for determination of the mode of inhibition of Nek2, which was shown to be time-dependent, not reversed by addition of ATP and negated by site directed mutagenesis of Cys22 to alanine. Replacement of the ethynyl group by ethyl or cyano abrogated activity. Variation of substituents on the N-phenyl moiety for 6-ethynylpurines gave further SAR data for Nek2 inhibition. The data showed little correlation of activity with the nature of the substituent, indicating that after sufficient initial competitive binding to Nek2 subsequent covalent modification of Cys22 occurs in all cases. A typical activity profile was that for 2-(3-((6-ethynyl-9H-purin-2-yl)amino)phenyl)acetamide [IC50 0.06 μM (Nek2); GI50 (SKBR3) 2.2 μM] which exhibited >5-10-fold selectivity for Nek2 over other kinases; it also showed > 50% growth inhibition at 10 μM concentration against selected breast and leukaemia cell lines. X-ray crystallographic analysis confirmed that binding of the compound to the Nek2 ATP-binding site resulted in covalent modification of Cys22. Further studies confirmed that 2-(3-((6-ethynyl-9H-purin-2-yl)amino)phenyl)acetamide has the attributes of a drug-like compound with good aqueous solubility, no inhibition of hERG at 25 μM and a good stability profile in human liver microsomes. It is concluded that 6-ethynylpurines are promising agents for cancer treatment by virtue of their selective inhibition of Nek2. This journal is

Synthetic method of poly-substituted dimethyl amino phenyl acetic acid compound

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Paragraph 0046-0049, (2021/03/05)

The invention relates to a synthesis method of a poly-substituted dimethyl amino phenyl acetic acid compound. The synthesis method comprises the following steps: carrying out methyl esterification reaction on a compound shown in a formula I to obtain a co

Preparation method of methyl p-aminophenylacetate

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Paragraph 0060; 0061; 0062; 0063; 0064, (2019/01/14)

An embodiment of the invention provides a preparation method of methyl p-aminophenylacetate and relates to the field of chemical synthesis. According to the preparation method, benzyl cyanide is adopted as a starting material and subjected to nitration, hydrolysis, esterification, reduction and other steps in sequence, and methyl p-aminophenylacetate is obtained with high yield. The preparation method adopts a reasonable route, is simple to operate, does not have quite high requirement for equipment and is suitable for large-scale industrial production, and the raw material is widely sourced.

Perfluorinated HDAC inhibitors as selective anticancer agents

Walton, James W.,Cross, Jasmine M.,Riedel, Tina,Dyson, Paul J.

, p. 9186 - 9190 (2017/11/14)

A series of potent histone deacetylase inhibitors is presented that incorporate alkyl or perfluorinated alkyl chains. Several new compounds show greater in vitro antiproliferative activity than the clinically approved inhibitor, SAHA. Furthermore, the new

COMPOUNDS USEFUL AS CSF1 MODULATORS

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Paragraph 00249; 00250; 00251, (2016/04/26)

This invention relates to novel compounds and to pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as Colony Stimulating Factor 1 Receptor (cFMS) modulators (e.g. cFMS inhibitors). This invention also relates to processes for preparing the compounds, uses of the compounds in treatment and methods of treatment employing the compounds. Specifically, the invention relates to the use of the compounds for the treatment of cancer and autoimmune diseases.

Nitrogen Mustard Derivatives

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Paragraph 0088-0089, (2014/10/16)

The disclosure includes compounds of Formula (1): wherein X1, X2, Q, Z, R1, and R2 are defined herein. Also disclosed is a method for treating a neoplastic disease or an immune disease with these compounds.

HETEROARYL INHIBITORS OF PDE4

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Paragraph 0530, (2014/05/24)

The present invention relates to compounds and methods useful as inhibitors of phosphodiesterase 4 (PDE4) for the treatment or prevention of disease.

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