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2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER is a chemical compound derived from cyclohexaneglyoxylic acid and ethyl alcohol, characterized by its ability to participate in various chemical reactions such as esterification, alkylation, and oxidation. This makes it a valuable intermediate in organic synthesis and a compound of interest for its potential biological activities, including antiviral and antibacterial properties.

5396-14-5

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5396-14-5 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER is used as a building block for the synthesis of various pharmaceutical and agrochemical products due to its versatile chemical reactivity and potential for creating new compounds with therapeutic or pesticidal properties.
Used in Organic Synthesis:
2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER is used as an intermediate in organic synthesis for its ability to undergo multiple chemical reactions, facilitating the creation of a wide range of organic compounds for various applications.
Used in Research and Development:
2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER is utilized in research and development for studying its potential biological activities, such as antiviral and antibacterial properties, which could lead to the discovery of new treatments or preventive measures against infectious diseases.
Used in Chemical Reactions:
2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER is used in various chemical reactions, such as esterification, alkylation, and oxidation, to produce a diverse array of chemical products for different industries, including the production of specialty chemicals, polymers, and other materials.

Check Digit Verification of cas no

The CAS Registry Mumber 5396-14-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,9 and 6 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5396-14:
(6*5)+(5*3)+(4*9)+(3*6)+(2*1)+(1*4)=105
105 % 10 = 5
So 5396-14-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H14O4/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h7H,2-6H2,1H3

5396-14-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl oxo(2-oxocyclohexyl)acetate

1.2 Other means of identification

Product number -
Other names ethyl 2-oxo-2-(2-oxocyclohexyl)acetate

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:5396-14-5 SDS

5396-14-5Relevant academic research and scientific papers

Indazole hydrazide compound and application thereof

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Paragraph 0089-0092, (2021/06/13)

The invention provides an indazole hydrazide compound as shown in a formula (I), wherein R is selected from substituted alkyl, substituted alkenyl or substituted phenyl; substituent groups in the substituted alkyl group and the substituted alkenyl group comprise phenyl and/or substituted phenyl; and R' is selected from H or alkyl. Compared with the prior art, the indole hydrazide compound provided by the invention can be used as an integrin avbeta3 receptor antagonist, has obvious anti-prostatic cancer activity, and has a significant inhibition effect on enzalutamide drug-resistant cell lines.

URAT1 inhibitor for promoting uric acid excretion

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Paragraph 0112; 0113; 0114, (2018/09/21)

The invention belongs to the field of medicinal chemistry, and in particular relates to a URT1 inhibitor for promoting uric acid excretion, which is a compound represented by the structure of the formula (I) or a pharmaceutically acceptable salt thereof. Experiments show that the compound provided by the invention has excellent inhibitory effect to hURAT1 transport uric acid in HEK293 transfectedcells and has a good application prospect in treatment of hyperuricemia or gout. The formula (I) is shown in the description.

Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans

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Paragraph 0066; 0260, (2018/08/20)

The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of

Pyrazolo-cyclo-3-carboxamide analog and its preparation method and use

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Paragraph 0043; 0044; 0045, (2016/10/08)

The invention provides a pyrazolo-cyclo-3-carboxamide analog. The pyrazolo-cyclo-3-carboxamide analog has a structure shown in the general formula I. In the formula I, n is an integer of 1-3, R1 represents C1-C10 alkyl, cyclopropyl, cyclohexyl or phenyl, hydrogen in the phenyl can be replaced by one or more of halogens, a cyano group, C1-C10 alkyl and C1-C10 alkoxy group. The pyrazolo-cyclo-3-carboxamide analog is designed according to active conformation of a bishydrazide compound, has obvious effects of killing agricultural pests and can be used as a pesticide in agriculture.

ALKYNYL ALCOHOLS AND METHODS OF USE

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Page/Page column 134; 135; 136, (2015/03/13)

The invention relates to compounds of Formula (0): wherein A1-A8, R4 and R5 each has the meaning as described herein. Compounds of Formula (0) and pharmaceutical compositions thereof are useful in the treatment of diseases and disorders in which undesired or over-activation of NF-kB signaling is observed.

ALKYNYL ALCOHOLS AND METHODS OF USE

-

Paragraph 0540; 0541, (2015/03/04)

The invention relates to compounds of Formula (0): wherein A1-A8, R4 and R5 each has the meaning as described herein. Compounds of Formula (0) and pharmaceutical compositions thereof are useful in the treatment of diseases and disorders in which undesired or over-activation of NF-kB signaling is observed.

Suprafenacine, an Indazole-hydrazide agent, target Cancer cells through microtubule destabilization

Choi, Bo-Hwa,Chattopadhaya, Souvik,Thanh, Le Nguyen,Feng, Lin,Nguyen, Quoc Toan,Lim, Chuan Bian,Harikishore, Amaravadhi,Reddy, Ravi Prakash,Bharatham, Nagakumar,Zhao, Yan,Liu, Xuewei,Yoon, Ho Sup

supporting information, (2015/02/18)

Microtubules are a highly validated target in cancer therapy. However, the clinical development of tubulin binding agents (TBA) has been hampered by toxicity and chemoresistance issues and has necessitated the search for new TBAs. Here, we report the identification of a novel cell permeable, tubulin-destabilizing molecule - 4,5,6,7-tetrahydro-1H-indazole-3- carboxylic acid [1p-tolyl-meth-(E)-ylidene]-hydrazide (termed as Suprafenacine, SRF). SRF, identified by in silico screening of annotated chemical libraries, was shown to bind microtubules at the colchicine-binding site and inhibit polymerization. This led to G2/M cell cycle arrest and cell death via a mitochondria-mediated apoptotic pathway. Cell death was preceded by loss of mitochondrial membrane potential, JNK - mediated phosphorylation of Bcl-2 and Bad, and activation of caspase-3.Intriguingly, SRF was found to selectively inhibit cancer cell proliferation and was effective against drug-resistant cancer cells by virtue of its ability to bypass the multidrug resistance transporter P-glycoprotein. Taken together, our resultssuggest that SRF has potential as a chemotherapeutic agent for cancer treatment and provides an alternate scaffold for the development of improved anti-cancer agents.

SUBSTITUTED BICYCLIC COMPOUNDS AS INHIBITORS OF EZH2

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Page/Page column 113; 114, (2014/10/15)

The present invention provides compounds of formula 1, isotopic forms, stereoisomers or tautomers thereof, or pharmaceutically acceptable salts, solvates, N-oxides, S-oxides and polymorphs thereof, and processes for their preparation. The invention further relates to pharmaceutical compositions containing said compounds and their use in the treatment of diseases or disorders mediated by EZH2 (enhancer of zeste homolog 2), particularly cancer.

TUBULIN INHIBITORS

-

Paragraph 00220; 00221, (2013/11/18)

The present invention relates to a compound of Formula (I) for use as a medicament, wherein: m is 0, 1, 2, 3, 4, or 5; R1 and R2 together form a five-membered, six-membered, or seven-membered ring, wherein R1 and R2 together as a group is -(CH2)3-, -(CH2)4 -, or -(CH2)5-; R3 at each occurrence is independently selected from the group consisting of H, halogen, hydroxyl, alkoxy, and a substituted or unsubstituted C1-C5 alkyl; and R4 is H, halogen, or a substituted or unsubstituted C1-C5 alkyl

Synthesis, Structure-Activity Relationship, and Pharmacophore Modeling Studies of Pyrazole-3-Carbohydrazone Derivatives as Dipeptidyl Peptidase IV Inhibitors

Wu, Deyan,Jin, Fangfang,Lu, Weiqiang,Zhu, Jin,Li, Cui,Wang, Wei,Tang, Yun,Jiang, Hualiang,Huang, Jin,Liu, Guixia,Li, Jian

experimental part, p. 897 - 906 (2012/07/27)

Type 2 diabetes mellitus (T2DM) is a metabolic disease and a major challenge to healthcare systems around the world. Dipeptidyl peptidase IV (DPP-4), a serine protease, has been rapidly emerging as an effective therapeutic target for the treatment for T2DM. In this study, a series of novel DPP-4 inhibitors, featuring the pyrazole-3-carbohydrazone scaffold, have been discovered using an integrated approach of structure-based virtual screening, chemical synthesis, and bioassay. Virtual screening of SPECS Database, followed by enzymatic activity assay, resulted in five micromolar or low-to-mid-micromolar inhibitory level compounds (1-5) with different scaffold. Compound 1 was selected for the further structure modifications in considering inhibitory activity, structural variability, and synthetic accessibility. Seventeen new compounds were synthesized and tested with biological assays. Nine compounds (6e, 6g, 6k-l, and 7a-e) were found to show inhibitory effects against DPP-4. Molecular docking models give rational explanation about structure-activity relationships. Based on eight DPP-4 inhibitors (1-5, 6e, 6k, and 7d), the best pharmacophore model hypo1 was obtained, consisting of one hydrogen bond donor (HBD), one hydrogen bond acceptor (HBA), and two hydrophobic (HY) features. Both docking models and pharmacophore mapping results are in agreement with pharmacological results. The present studies give some guiding information for further structural optimization and are helpful for future DPP-4 inhibitors design.

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