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4-OXO-4-(4-PHENOXYPHENYL)BUTYRIC ACID, also known as (4-Phenoxy) butyric acid or 4-oxo-4-(4-phenoxyphenyl)butanoic acid, is a synthetic organic compound derived from butyric acid with a molecular formula of C16H16O4. It is characterized by its functional groups and versatile reactivity, making it a valuable building block in the synthesis of pharmaceuticals and other organic compounds. Additionally, it exhibits potential anti-inflammatory and anti-cancer properties, which has garnered interest in research for its potential medical applications.

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36330-86-6 Usage

Uses

Used in Pharmaceutical Industry:
4-OXO-4-(4-PHENOXYPHENYL)BUTYRIC ACID is used as a building block for the synthesis of various pharmaceuticals due to its functional groups and versatile reactivity. Its ability to be incorporated into complex molecular structures makes it a valuable component in the development of new drugs.
Used in Organic Chemistry Research:
In the field of organic chemistry, 4-OXO-4-(4-PHENOXYPHENYL)BUTYRIC ACID is used as a starting material for the synthesis of a wide range of organic compounds. Its reactivity and functional groups allow for the creation of diverse chemical entities, contributing to the advancement of organic chemistry.
Used in Anti-inflammatory Applications:
4-OXO-4-(4-PHENOXYPHENYL)BUTYRIC ACID is used as a potential anti-inflammatory agent due to its ability to modulate inflammatory pathways. Its potential to alleviate inflammation makes it a subject of interest for the development of treatments for various inflammatory conditions.
Used in Anti-cancer Research:
In the realm of anti-cancer research, 4-OXO-4-(4-PHENOXYPHENYL)BUTYRIC ACID is used as a compound with potential anti-cancer properties. Its ability to target and inhibit cancer cell growth and proliferation is being investigated for the development of novel cancer therapies.

Check Digit Verification of cas no

The CAS Registry Mumber 36330-86-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,6,3,3 and 0 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 36330-86:
(7*3)+(6*6)+(5*3)+(4*3)+(3*0)+(2*8)+(1*6)=106
106 % 10 = 6
So 36330-86-6 is a valid CAS Registry Number.
InChI:InChI=1/C16H14O4/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)

36330-86-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-oxo-4-(4-phenoxyphenyl)butanoic acid

1.2 Other means of identification

Product number -
Other names 4-Oxo-4-(4-phenoxy-phenyl)-buttersaeure

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:36330-86-6 SDS

36330-86-6Relevant academic research and scientific papers

Synthesis of Some Novel Thiazolo[3,2-a]pyrimidine and Pyrimido[2,1-b][1,3]thiazine Derivatives and their Antimicrobial Evaluation

Behalo, Mohamed S.

, p. 1391 - 1397 (2018)

A 2-(2-Mercapto-4-(4-phenoxyphenyl)-6-(thiophen-2-yl)-1,6-dihydropyrimidin-5-yl) acetic acid was used as a reactive key precursor to design various pyrimidine derivatives such as thiazolo[3,2-a]pyrimidines and pyrimido[2,1-b][1,3]thiazines. The chemical s

In silico designing, in vitro and in vivo evaluation of potential PPAR-γ agonists derived from aryl propionic acid scaffold

Kharbanda, Chetna,Alam, Mohammad Sarwar,Hamid, Hinna,Ali, Yakub,Nazreen, Syed,Dhulap, Abhijeet,Alam, Perwez,Pasha

, (2020/11/27)

Attributed to several side effects, especially on hepatic tissues and body weight, there is always an urge of innovation and upgrading in already existing medication being used in maintaining diabetic condition. Therefore, in the present work, forty-eight molecules derived from arylpropionic acid scaffold were synthesized and their evaluation against diabetes was carried out. The synthesis of these molecules attributed to excellent dock score displayed by all the structures performed against PPAR-γ receptor site. Subsequently, all the derivatives were primarily deduced for their antidiabetic potential by OGTT. The compounds that showed significant antidiabetic activity in OGT Test and also exhibited high dock scores were assessed further by in vitro PPAR transactivation assay to assure analogy between in vivo and in vitro studies. The antidiabetic activity of these active compounds was then evaluated on STZ induced diabetic model in vivo. The most active compounds were scrutinized for its effect on PPAR-γ gene expression and hepatotoxic effect. Finally, it was recapitulated that these derivatives can provide a new prospect towards the development of antidiabetic agents with fewer side effects.

PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS

-

Page/Page column 339-341, (2020/10/18)

This disclosure provides pharmaceutical compounds to treat medical disorders, such as complement-mediated disorders, including complement Cl -mediated disorders.

Synthesis, anti-convulsant activity and molecular docking study of novel thiazole pyridazinone hybrid analogues

Khisal, Subuhi,Mishra, Ravinesh,Partap, Sangh,Siddiqui, Aness Ahmad,Yar, Mohammad Shahar

, (2020/04/07)

Pyridazinone analogues have been known to be potential candidates for anticonvulsant agents. We have identified several pyridazinone-based anticonvulsant agents. As a continuation to our previous research, a series of hybrid pyridazinone-thiazole connected through amide linkage were designed and synthesized. Among these, compound SP-5F demonstrated significant anticonvulsant activity with median effective dose of 24.38 mg/kg (MES) and 88.23 mg/kg (scPTz). Results of GABA estimation showed a marked increase in the GABA level when compared with control. Molecular docking studies at the active site of GABA receptor, further confirmed the GABA modulatory effects of SP-5F.

Design, Synthesis, and Pharmacological Screening of Pyridazinone Hybrids as Anticonvulsant Agents

Partap, Sangh,Yar, Mohammad Shahar,Hassan, Md. Zaheen,Akhtar, Md. Jawaid,Siddiqui, Anees A.

, (2017/10/06)

A series of new hybrid benzimidazole containing pyridazinones derivatives were designed and synthesized in accordance with the pharmacophoric requirements essential for the anticonvulsant activity. The synthesized compounds were evaluated for anticonvulsant activity on mice by the gold standard maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ)-induced seizure models. Among the compounds tested, SS-4F showed significant anticonvulsant activity in both the screens with ED50 values of 25.10 and 85.33 mg/kg in the MES and scPTZ screens, respectively. Compound SS-4F emerged as safer and effective anticonvulsant due to its several-fold higher protective indices. Further, the gamma-aminobutyric acid (GABA) estimation result showed a marked increase in the GABA level (1.7-fold) as compared to the control, which was further confirmed by good binding properties with the GABAA receptor.

Cobalt-catalyzed oxidative cyclization of gem-disubstituted conjugated alkenols

Alves, Tania M.F.,Costa, Mateus O.,Bispo, Beatriz A.D.,Pedrosa, Fabiana L.,Ferreira, Marco A.B.

supporting information, p. 3334 - 3338 (2016/07/11)

Aryl gem-disubstituted conjugated alkenols underwent oxidative cyclization affording 2,5,5-trisubstituted tetrahydrofurans in reasonable yields and good diastereoselectivities using the reductive termination variation of the Mukaiyama aerobic oxidative reaction. Under oxidative termination, the same alkenols produced diols and ketonic by-products via the double hydration and beta-scission competing pathways. Furthermore, the differences in alkenol reactivity under the reductive and oxidative termination conditions were investigated.

One-pot synthesis of tetralin derivatives from 3-benzoylpropionic acids: Indium-catalyzed hydrosilylation of ketones and carboxylic acids and intramolecular cyclization

Sakai, Norio,Kobayashi, Taichi,Ogiwara, Yohei

supporting information, p. 1503 - 1505 (2015/11/24)

This reducing system was composed of a small amount (1 mol%) of In(OAc)3, Me2PhSiH, and I2 that effectively catalyzed the hydrosilylation of two different carbonyl groups, a ketone and a carboxylic acid found in 3-benzoylpropionic acids, followed by a subsequent intramolecular cyclization that led to the one-pot preparation of tetralin derivatives.

Synthesis, antiproliferative and anti-inflammatory activities of some novel 6-aryl-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-ones

Ovais, Syed,Javed, Kalim,Yaseen, Shafiya,Bashir, Rafia,Rathore, Pooja,Yaseen, Raed,Hameed, Alhamzah D.,Samim, Mohammad

, p. 352 - 358 (2013/10/01)

Sixteen new 6-aryl-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2 H)-ones (2a-p) were synthesized and tested for in vitro anticancer and in vivo anti-inflammatory activities. Eleven (2b, 2d , 2-ej and 2m-p) of the obtained compounds were screened for their antiproliferative activity towards 60 human cancer cell lines by the National Cancer Institute (USA). Compound 2f showed remarkable activity with GI50 less than 1 μM on 36 human tumor cell lines and has been referred to Biological Evaluation Committee (NCI) for advance study. Compound 2g also displayed promising antiproliferative activity against 20 different cell lines with GI50 less than 1 μM. Compounds 2k and 2n were found to have a comparable anti-inflammatory activity to that of standard drug etoricoxib in carrageenan-induced rat hind paw edema model at 5 h.

Synthesis and biological evaluation of some novel sulfamoylphenyl- pyridazinone as anti-inflammatory agents (Part-II)

Bashir, Rafia,Yaseen, Shafiya,Ovais, Syed,Ahmad, Shamim,Hamid, Hinna,Alam,Samim, Mohammad,Javed, Kalim

experimental part, p. 92 - 96 (2012/05/19)

Seven novel 6-aryl-2-(p-sulfamoylphenyl)-4,5-dihydropyridazin-3(2H)-ones (2a-g) were synthesized by the condensation of appropriate aroylpropionic acid and 4-hydrazinobenzenesulfonamide hydrochloride in ethanol. Structure of all compounds have been elucidated by elemental analysis, IR, 1H NMR, 13C NMR, DEPT and MS spectrscopy. These compounds were tested for their anti-inflammatory activity in carrageenan-induced rat paw edema model. Compound 2b exhibited anti-inflammatory activity comparable to that of celecoxib (at 5h). Two other compounds 2d and 2g showed promising anti-inflammatory activity (edema reduction more than 80% at 5h). These compounds (2b, 2d and 2g) did not produce any ulceration in gastric region.

Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1

Rist, ystein,Grimstrup, Marie,Receveur, Jean-Marie,Frimurer, Thomas M.,Ulven, Trond,Kostenis, Evi,Hoegberg, Thomas

scheme or table, p. 1177 - 1180 (2010/06/15)

Structure-activity relationships of three related series of 4-phenylthiazol-5-ylacetic acids, derived from two hits emanating from a focused library obtained by in silico screening, have been explored as CRTH2 (chemoattractant receptor-homologous molecule expressed on Th2 cells) antagonists. Several compounds with double digit nanomolar binding affinity and full antagonistic efficacy for human CRTH2 receptor were obtained in all subclasses. The most potent compound was [2-(4-chloro-benzyl)-4-(4-phenoxy-phenyl)-thiazol-5-yl]acetic acid having an binding affinity of 3.7 nM and functional antagonistic effect of 66 nM in a BRET and 12 nM in a cAMP assay with no functional activity for the other PGD2 DP receptor (27 μM in cAMP).

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