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2-[(Dimethylamino)methylene]-1,3-cyclohexanedione, commonly known as dimedone, is a bicyclic diketone compound featuring a dimethylamino group attached to one of its carbon atoms. It is recognized for its versatile reactivity and serves as a valuable building block in organic chemistry due to its ability to participate in various functional group transformations. Dimedone is widely utilized in the synthesis of heterocyclic compounds, pharmaceuticals, and agrochemicals, and is also employed in the detection of radicals and reactive intermediates.

85302-07-4

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85302-07-4 Usage

Uses

Used in Organic Synthesis:
Dimedone is used as a reactant in the formation of heterocyclic compounds, such as pyrazoles and pyrimidines, for its ability to undergo functional group transformations and form stable adducts with various radicals and reactive intermediates.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, dimedone is utilized as a key intermediate in the synthesis of various drugs, contributing to the development of new medicinal compounds.
Used in Agrochemical Synthesis:
Dimedone also finds application in the agrochemical sector, where it is used as a building block for the synthesis of agrochemicals, aiding in the creation of new products for agricultural use.
Used in Detection of Radicals and Reactive Intermediates:
Due to its reactivity, dimedone is employed in the detection and analysis of various radicals and reactive intermediates, serving as a tool in both research and industrial settings to form stable adducts for further study and application.

Check Digit Verification of cas no

The CAS Registry Mumber 85302-07-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,3,0 and 2 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 85302-07:
(7*8)+(6*5)+(5*3)+(4*0)+(3*2)+(2*0)+(1*7)=114
114 % 10 = 4
So 85302-07-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H13NO2/c1-10(2)6-7-8(11)4-3-5-9(7)12/h6H,3-5H2,1-2H3

85302-07-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(dimethylaminomethylidene)cyclohexane-1,3-dione

1.2 Other means of identification

Product number -
Other names 2-((N,N-dimethylamino)methylene)cyclohexane-1,3-dione

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:85302-07-4 SDS

85302-07-4Relevant academic research and scientific papers

NEW THERAPEUTIC AGENTS FOR THE TREATMENT OF HAEMATOLOGICAL PATHOLOGIES

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Page/Page column 26-27, (2021/03/05)

The present invention relates to compounds having a tetracyclic system and the use thereof as new therapeutic agents in the treatment of acute myeloid leukemia (AML), preferably in FLT3/ITD hemizygote patients resistant to conventional therapies. The invention also relates to 5,7-dihydro-4H-[1,3]thiazolo[4,5-e]isoindol-2-amine compounds useful as intermediates for the synthesis of tetracyclic imidazo[2',1':2,3][1,3]thiazolo[4,5-e]isoindole compounds.

Design, synthesis and biological evaluation of selective histone deacetylase 6 (HDAC6) inhibitors bearing benzoindazole or pyrazoloindazole scaffold as surface recognition motif

Xu, Qihao,Mou, Yanhua,Wang, Siyuan,Gao, Xiaoxiao,Zhang, Yulong,Wang, Zhi,Xu, Xiangwei,Han, Yu,Jia, Wenlong,Zhang, Meihui,Zhao, Linxiang,Liu, Dan

, (2021/04/27)

A series of compounds were designed and synthesized based on the compound 11i bearing phenylpyrazole scaffold with histone deacetylase 6 (HDAC6) inhibitory activity. Most of the compounds showed considerable inhibitory activity against HDAC6 and compound

Inhibition studies on carbonic anhydrase isoforms I, II, IV and IX with N-arylsubstituted secondary sulfonamides featuring a bicyclic tetrahydroindazole scaffold

Salerno, Silvia,Amendola, Giorgio,Angeli, Andrea,Baglini, Emma,Barresi, Elisabetta,Marini, Anna Maria,Ravichandran, Rahul,Viviano, Monica,Castellano, Sabrina,Novellino, Ettore,Da Settimo, Federico,Supuran, Claudiu T.,Cosconati, Sandro,Taliani, Sabrina

, (2021/06/07)

Carbonic Anhydrases (CAs) are pharmaceutically relevant targets for the treatment of several disease conditions. The ubiquitous localization of these enzymes and the high homology shared by the different isoforms represent substantial impediments for the

Tetrahydroquinazole-based secondary sulphonamides as carbonic anhydrase inhibitors: synthesis, biological evaluation against isoforms I, II, IV, and IX, and computational studies

Baglini, Emma,Barresi, Elisabetta,Berrino, Emanuela,Castellano, Sabrina,Cosconati, Sandro,Da Settimo, Federico,Marini, Anna Maria,Ravichandran, Rahul,Salerno, Silvia,Supuran, Claudiu T.,Taliani, Sabrina,Viviano, Monica

, p. 1874 - 1883 (2021/08/10)

A library of variously decorated N-phenyl secondary sulphonamides featuring the bicyclic tetrahydroquinazole scaffold was synthesised and biologically evaluated for their inhibitory activity against human carbonic anhydrase (hCA) I, II, IV, and IX. Of not

GPR52 MODULATOR COMPOUNDS

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Page/Page column 45; 48; 58-59, (2021/05/15)

The disclosures herein relate to novel compounds of Formula (1): (1) and salts thereof, wherein R1, Q, X, Y and Z are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with GPR52 receptors.

Discovery and Optimization of 2 H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer

Rohde, Jason M.,Karavadhi, Surendra,Pragani, Rajan,Liu, Li,Fang, Yuhong,Zhang, Weihe,McIver, Andrew,Zheng, Hongchao,Liu, Qingyang,Davis, Mindy I.,Urban, Daniel J.,Lee, Tobie D.,Cheff, Dorian M.,Hollingshead, Melinda,Henderson, Mark J.,Martinez, Natalia J.,Brimacombe, Kyle R.,Yasgar, Adam,Zhao, Wei,Klumpp-Thomas, Carleen,Michael, Sam,Covey, Joseph,Moore, William J.,Stott, Gordon M.,Li, Zhuyin,Simeonov, Anton,Jadhav, Ajit,Frye, Stephen,Hall, Matthew D.,Shen, Min,Wang, Xiaodong,Patnaik, Samarjit,Boxer, Matthew B.

, p. 4913 - 4946 (2021/05/07)

Neomorphic mutations in isocitrate dehydrogenase 1 (IDH1) are oncogenic for a number of malignancies, primarily low-grade gliomas and acute myeloid leukemia. We report a medicinal chemistry campaign around a 7,7-dimethyl-7,8-dihydro-2H-1λ2-quinoline-2,5(6H)-dione screening hit against the R132H and R132C mutant forms of isocitrate dehydrogenase (IDH1). Systematic SAR efforts produced a series of potent pyrid-2-one mIDH1 inhibitors, including the atropisomer (+)-119 (NCATS-SM5637, NSC 791985). In an engineered mIDH1-U87-xenograft mouse model, after a single oral dose of 30 mg/kg, 16 h post dose, between 16 and 48 h, (+)-119 showed higher tumoral concentrations that corresponded to lower 2-HG concentrations, when compared with the approved drug AG-120 (ivosidenib).

INHIBITORS OF GLUCOSE-6-PHOSPHATE DEHYDROGENASE AND USES THEREOF

-

Paragraph 00293, (2021/07/24)

Provided herein are compounds having the following structural formula, wherein values for the variables are as described herein. Also provided are pharmaceutical compositions of the compounds, as well as methods of using the compounds to inhibit the oxida

1,5,6,7-Tetrahydro-4H-indazol-4-ones as human neutrophil elastase (HNE) inhibitors

Bartolucci, Gianluca,Cantini, Niccolo,Crocetti, Letizia,Giovannoni, Maria Paola,Guerrini, Gabriella,Pallecchi, Marco,Quinn, Mark T.,Schepetkin, Igor A.,Teodori, Elisabetta,Vergelli, Claudia

, (2021/10/04)

Human neutrophil elastase (HNE) is a serine protease that is expressed in polymorphonuclear neutrophils. It has been recognized as an important therapeutic target for treating inflammatory diseases, especially related to the respiratory system, but also f

Tetrahydroquinazoline derivatives and pharmaceutical composition for preventing or treating psoriasis comprising the same

-

Paragraph 0238-0241, (2020/11/06)

The present invention relates to a tetrahydroquinazoline derivative and a pharmaceutical composition for preventing or treating psoriasis containing the same as an active ingredient. The compound provided in one aspect of the present invention has an effe

Mercaptan compound having HDAC6 (histone deacetylase 6) inhibitory activity and application thereof

-

Paragraph 0148; 0149; 0150; 0151, (2019/03/10)

The invention belongs to the technical field of medicines and relates to a mercaptan compound having an anti-tumor activity, in particular to a mercaptan compound containing a 6(7)-substituted-N-(6-decylhexyl)-pyrazolo[3,4-e] indazole-3-formamide fragment

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