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4-Oxocyclohexanecarboxylic acid is a 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group. It is an off-white solid and is known for its role in the synthesis of various pharmaceutical compounds.

874-61-3

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874-61-3 Usage

Uses

Used in Pharmaceutical Industry:
4-Oxocyclohexanecarboxylic acid is used as an intermediate in the preparation of Indomethacin (I641000) analogues, which are employed in the treatment of prostate cancer. It plays a crucial role in the development of these therapeutic agents, contributing to their efficacy against cancer cells.
Additionally, 4-Oxocyclohexanecarboxylic acid is used in the synthesis of β-alanine derivatives, which serve as glucagon receptor antagonists. These antagonists have potential applications in the treatment of type 2 diabetes and obesity by modulating glucose homeostasis and energy metabolism.

Check Digit Verification of cas no

The CAS Registry Mumber 874-61-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,7 and 4 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 874-61:
(5*8)+(4*7)+(3*4)+(2*6)+(1*1)=93
93 % 10 = 3
So 874-61-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)

874-61-3 Well-known Company Product Price

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  • Alfa Aesar

  • (H27294)  4-Oxocyclohexanecarboxylic acid, 98%   

  • 874-61-3

  • 250mg

  • 728.0CNY

  • Detail
  • Alfa Aesar

  • (H27294)  4-Oxocyclohexanecarboxylic acid, 98%   

  • 874-61-3

  • 1g

  • 1870.0CNY

  • Detail

874-61-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-oxocyclohexanecarboxylic acid

1.2 Other means of identification

Product number -
Other names 4-Oxocyclohexanecarboxylic 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:874-61-3 SDS

874-61-3Relevant academic research and scientific papers

An endoperoxide-based hybrid approach to deliver falcipain inhibitors inside malaria parasites

Oliveira, Rudi,Newton, Ana S.,Guedes, Rita C.,Miranda, Daniela,Amewu, Richard K.,Srivastava, Abhishek,Gut, Jiri,Rosenthal, Philip J.,O'Neill, Paul M.,Ward, Stephen A.,Lopes, Francisca,Moreira, Rui

, p. 1528 - 1536 (2013)

The emergence of artemisinin-resistant Plasmodium falciparum malaria in Southeast Asia has reinforced the urgent need to discover novel chemotherapeutic strategies to treat and control malaria. To address this problem, we prepared a set of dual-acting tet

4-Oxocyclohexanecarboxylic acid: Hydrogen bonding in the monohydrate of a δ-keto acid

Barcon, Alan,Brunskill, Andrew P.J.,Thompson, Hugh W.,Lalancette, Roger A.

, p. o140-o142 (2004)

The title monohydrate, C7H10O 3·H2O, aggregates as a complex hydrogen-bonding network, in which the water molecule accepts a hydrogen bond from the carboxyl group of one molecule and donates hydrogen bonds to ketone and carboxyl C=O functions in two additional molecules, yielding a sheet-like structure of parallel ribbons. The keto acid adopts a chiral conformation through rotation of the carboxyl group by 62.50 (15)° relative to the plane defined by its point of attachment and the ketone C and O atoms. Two C - H=O close contacts exist in the structure.

TGF-betaR1 inhibitor and application thereof

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Paragraph 1061; 1063-1065, (2020/06/09)

The invention belongs to the field of medical chemistry, and particularly relates to a compound serving as a TGF-betaR1 inhibitor and application of the compound. Specifically, the invention providesa compound shown as a formula I or an isomer, a pharmaceutically acceptable salt, a solvate, a crystal or a prodrug thereof, a preparation method of the compounds, a pharmaceutical composition containing the compounds and application of the compounds or the composition to treatment and/or prevention of TGF-betaR1 related diseases, such as cancers, tissue hyperplasia diseases, fibrosis and inflammatory diseases. The compound provided by the invention shows significant inhibitory activity on TGF-betaR1 kinase, and is very expected to become a therapeutic agent for TGF-betaR1 related diseases.

BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS

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Paragraph 00214, (2017/02/24)

The present invention relates to compounds characterized by having a structure according to the following Formula I, or a pharmaceutically acceptable salt thereof. Compounds of the present invention are useful for the treatment or prevention of HIV.

COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY

-

Paragraph 00216, (2017/04/11)

The present invention relates to compounds characterized by having a structure according to the following Formula (I), or a pharmaceutically acceptable salt thereof. Compounds of the present invention are useful for the treatment or prevention of HIV.

Epsilon-caprolactone derivatives and preparation method and application thereof

-

Paragraph 0040; 0041, (2017/11/16)

The invention relates to the field of biomedical materials, and concretely relates to novel water-soluble epsilon-caprolactone derivatives for preparing biomedical polymer materials with biodegradability, wherein the structural formula of the derivatives

NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES

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Page/Page column 73; 223, (2016/06/28)

The present invention is directed to tricyclic compounds of formula (I) which are inhibitors of one or more mutant IDH enzymes: (I). The present invention is also directed to uses of the tricyclic compounds described herein in the potential treatment or prevention of cancers in which one or more mutant IDH enzymes are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such cancers.

BENZOTHIAZOLE DERIVATIVES AND A USE THEREOF FOR THE TREATMENT OF CANCER

-

Paragraph 0088; 0089; 0090, (2016/02/18)

Provided are a compound represented by Formula I, a pharmaceutically acceptable salt thereof, or a solvate thereof; and a pharmaceutical composition for cancer treatment and a pharmaceutical composition for a radiation sensitizer for cancer treatment, eac

Photoinduced Oxidation of Secondary Alcohols Using 4-Benzoylpyridine as an Oxidant

Kamijo, Shin,Tao, Keisuke,Takao, Go,Tonoda, Hiroshi,Murafuji, Toshihiro

supporting information, p. 3326 - 3329 (2015/07/15)

Photoinduced oxidation of secondary alcohols to ketones was achieved by utilizing an equimolar amount of 4-benzoylpyridine as an oxidant. This transformation proceeds at ambient temperature and exhibits high compatibility with polar functionalities including benzoyl, silyl, and methoxymethyl alcohol protecting groups as well as tosyloxy, bromo, sulfonyl, carbamate, ester, and carboxylic acid units. The present oxidation is solely promoted by the action of organic molecules without the aid of metallic reagents. (Chemical Equation Presented).

Discovery of 6-phenylpyrimido[4,5- B ][1,4]oxazines as potent and selective Acyl CoA: Diacylglycerol acyltransferase 1 (DGAT1) inhibitors with in vivo efficacy in rodents

Fox, Brian M.,Sugimoto, Kazuyuki,Iio, Kiyosei,Yoshida, Atsuhito,Zhang, Jian,Li, Kexue,Hao, Xiaolin,Labelle, Marc,Smith, Marie-Louise,Rubenstein, Steven M.,Ye, Guosen,McMinn, Dustin,Jackson, Simon,Choi, Rebekah,Shan, Bei,Ma, Ji,Miao, Shichang,Matsui, Takuya,Ogawa, Nobuya,Suzuki, Masahiro,Kobayashi, Akio,Ozeki, Hidekazu,Okuma, Chihiro,Ishii, Yukihito,Tomimoto, Daisuke,Furakawa, Noboru,Tanaka, Masahiro,Matsushita, Mutsuyoshi,Takahashi, Mitsuru,Inaba, Takashi,Sagawa, Shoichi,Kayser, Frank

supporting information, p. 3464 - 3483 (2014/05/20)

The discovery and optimization of a series of acyl CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitors based on a pyrimido[4,5-b][1,4]oxazine scaffold is described. The SAR of a moderately potent HTS hit was investigated resulting in the discovery of phenylcyclohexylacetic acid 1, which displayed good DGAT1 inhibitory activity, selectivity, and PK properties. During preclinical toxicity studies a metabolite of 1 was observed that was responsible for elevating the levels of liver enzymes ALT and AST. Subsequently, analogues were synthesized to preclude the formation of the toxic metabolite. This effort resulted in the discovery of spiroindane 42, which displayed significantly improved DGAT1 inhibition compared to 1. Spiroindane 42 was well tolerated in rodents in vivo, demonstrated efficacy in an oral triglyceride uptake study in mice, and had an acceptable safety profile in preclinical toxicity studies.

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