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2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide is a complex organic compound with the molecular formula C21H18ClN3O3. It is a derivative of indole, a heterocyclic aromatic organic compound, and features a 4-chlorobenzoyl group attached to the indole ring. The molecule also contains a methoxy group and a methyl group, which contribute to its structure and potential biological activity. 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide is of interest in the field of medicinal chemistry due to its potential applications as a pharmaceutical agent or a chemical probe in biological research. Its specific properties and uses would depend on its ability to interact with biological targets, such as enzymes or receptors, which could be explored through further chemical and pharmacological studies.

6264-33-1

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6264-33-1 Usage

Chemical structure

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide is a complex organic molecule with an indole ring and various substituent groups.

Substituent groups

The indole ring in the compound has three substituent groups a 4-chlorobenzoyl group, a 5-methoxy group, and a 2-methyl group.

4-chlorobenzoyl

A benzoyl group (C6H5C(O)-) with a chlorine atom at the 4-position, which imparts a chlorine atom at the para position relative to the amide group.

5-methoxy

An oxygen atom bonded to a methyl group (-OCH3) at the 5-position of the indole ring, which introduces a methoxy group to the compound.

2-methyl

A methyl group (-CH3) at the 2-position of the indole ring, which adds steric hindrance and affects the compound's properties.

Biological activities

The compound has potential biological activities, which may make it useful for pharmaceutical or research purposes. Further investigation and testing are required to determine its specific applications and effects.

Further research

The specific properties and uses of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide would require additional studies, including in vitro and in vivo testing, to evaluate its efficacy, safety, and potential side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 6264-33-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,6 and 4 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 6264-33:
(6*6)+(5*2)+(4*6)+(3*4)+(2*3)+(1*3)=91
91 % 10 = 1
So 6264-33-1 is a valid CAS Registry Number.

6264-33-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Indomethacin amide

1.2 Other means of identification

Product number -
Other names indomethacin amide

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:6264-33-1 SDS

6264-33-1Relevant academic research and scientific papers

Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes

Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi

supporting information, p. 3595 - 3599 (2021/06/06)

Here, a photocatalytic deoxygenative amidation protocol using readily available amine-boranes and carboxylic acids is described. This approach features mild conditions, moderate-to-good yields, easy scale-up, and up to 62 examples of functionalized amides with diverse substituents. The synthetic robustness of this method was also demonstrated by its application in the late-stage functionalization of several pharmaceutical molecules.

Mechanistic Insight Facilitates Discovery of a Mild and Efficient Copper-Catalyzed Dehydration of Primary Amides to Nitriles Using Hydrosilanes

Liu, Richard Y.,Bae, Minwoo,Buchwald, Stephen L.

supporting information, p. 1627 - 1631 (2018/02/17)

Metal-catalyzed silylative dehydration of primary amides is an economical approach to the synthesis of nitriles. We report a copper-hydride(CuH)-catalyzed process that avoids a typically challenging 1,2-siloxane elimination step, thereby dramatically increasing the rate of the overall transformation relative to alternative metal-catalyzed systems. This new reaction proceeds at ambient temperature, tolerates a variety of metal-, acid-, or base-sensitive functional groups, and can be performed using a simple ligand, inexpensive siloxanes, and low catalyst loading.

CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING

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Paragraph 0466; 0467, (2016/01/25)

Conjugates derived from non-steroidal anti-inflammatory drugs (NSAIDs) and methods of use thereof are disclosed, useful for, inter alia, identifying and localizing the site of pathology and/or inflammation responsible for the sensation of pain in a patient; for identifying the sites of primary, secondary, benign, or malignant tumors; and for diagnosing infection or confirming or ruling out suspected infection. The NSAID-based conjugates contain an imaging moiety. The conjugates concentrate at sites of increased cyclooxygenase expression, thus revealing the sites of increased prostaglandin production, which is correlated with pain and inflammation, and correlated with tumor presence and/or location. Identifying areas of increased COX expressing can also aid in screening for infections.

Design, synthesis, and biological evaluation of novel dual inhibitors of secretory phospholipase A2 and sphingomyelin synthase

Gao, Xing,Gong, Haojun,Men, Peng,Zhou, Lu,Ye, Deyong

supporting information, p. 1164 - 1170 (2013/10/21)

A novel series of eight SMS and sPLA2 dual inhibitors containing indole and α-amino cyanide fragments of different length and substitution position was synthesized and evaluated by three different in vitro assays. Biological evaluation showed that all compounds provided inhibitory effects against SMS (about 50% inhibition at 100 μmol/L) and sPLA2 (14-32 μmol/L). All the compounds had the SMS activity better than the positive control compound D609 in SMS2 homogenate, with compounds 5b and 5e ideal for liver homogenate and SMS2 high expression cell homogenate, respectively. The secretory phospholipase A2 (sPLA2) and sphingomyelin (SMS) are the key enzymes to atherosclerosis. In this paper, we combined the single sPLA2 and SMS inhibitors with a carbon chain to get a series of dual inhibitors. The biological evaluation showed these compounds had the moderate inhibition against both enzymes. Copyright

NO-NSAIDs. Part 3: Nitric oxide-releasing prodrugs of non-steroidal anti-inflammatory drugs

Borhade, Namdev,Pathan, Asif Rahimkhan,Halder, Somnath,Karwa, Manoj,Dhiman, Mini,Pamidiboina, Venu,Gund, Machhindra,Deshattiwar, Jagannath Janardhan,Mali, Sunil Vasantrao,Deshmukh, Nitin Janardanrao,Senthilkumar, Subrayan Palanisamy,Gaikwad, Parikshit,Tipparam, Santhosh Goud,Mudgal, Jayesh,Dutta, Milan Chandra,Burhan, Aslam Usmangani,Thakre, Gajanan,Sharma, Ankur,Deshpande, Shubhada,Desai, Dattatraya Chandrakant,Dubash, Nauzer Pervez,Jain, Arun Kumar,Sharma, Somesh,Nemmani, Kumar Venkata Subrahmanya,Satyam, Apparao

experimental part, p. 465 - 481 (2012/05/31)

In continuation of our efforts to discover novel nitric oxide-releasing non-steroidal anti-inflammatory drugs (NO-NSAIDs) as potentially "Safe NSAIDs," we report herein the design, synthesis and evaluation of 21 new NO-NSAIDs of commonly used NSAIDs such as aspirin, diclofenac, naproxen, flurbiprofen, ketoprofen, sulindac, ibuprofen and indomethacin. These prodrugs have NO-releasing disulfide linker attached to a parent NSAID via linkages such as an ester (compounds 9-16), a double ester (compounds 17-24), an imide (compounds 25-30) or an amide (compounds 31-33). Among these NO-NSAIDs, the ester-containing NO-aspirin (9), NO-diclofenac (10), NO-naproxen (11), and the imide-containing NO-aspirin (25), NO-flurbiprofen (27) and NO-ketoprofen (28) have shown promising oral absorption, anti-inflammatory activity and NO-releasing property, and also protected rats from NSAID-induced gastric damage. NO-aspirin compound 25, on further co-evaluation with aspirin at equimolar doses, exhibited comparable dose-dependent pharmacokinetics, inhibition of gastric mucosal prostaglandin E2 (PGE2) synthesis and analgesic properties to those of aspirin, but retained its gastric-sparing properties even after doubling its oral dose. These promising NO-NSAIDs could therefore represent a new class of potentially "Safe NSAIDs" for the treatment of arthritic pain and inflammation.

COX-2-targeted imaging agents

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Page/Page column 21-22, (2008/06/13)

The presently disclosed subject matter provides a method for synthesizing a radiological imaging agent by reacting a COX-2-selective ligand with a compound comprising a detectable group, wherein the COX-2-selective ligand is a derivative of a non-steroidal anti-inflammatory drug (NSAID) comprising an ester moiety or a secondary amide moiety. Also provided are compositions that are synthesized using the method, as well as methods of using the compositions of the presently disclosed subject matter.

Thiazole analogues of the NSAID indomethacin as selective COX-2 inhibitors

Woods, Keith W.,McCroskey, Richard W.,Michaelides, Michael R.,Wada, Carol K.,Hulkower, Keren I.,Bell, Randy L.

, p. 1325 - 1328 (2007/10/03)

The carboxyl group of the NSAID indomethacin was replaced with a variety of substituted thiazoles to obtain a series of potent, selective inhibitors of COX-2. Additional substitutions were made at the 1-position and 5-position of the indole of indomethacin.

Ester and amide derivatives of the nonsteroidal antiinflammatory drug, indomethacin, as selective cyclooxygenase-2 inhibitors

Kalgutkar, Amit S.,Marnett, Alan B.,Crews, Brenda C.,Remmel, Rory P.,Marnett, Lawrence J.

, p. 2860 - 2870 (2007/10/03)

Recent studies from our laboratory have shown that derivatization of the carboxylate moiety in substrate analogue inhibitors, such as 5,8,11,14- eicosatetraynoic acid, and in nonsteroidal antiinflammatory drugs (NSAIDs), such as indomethacin and meclofenamic acid, results in the generation of potent and selective cyclooxygenase-2 (COX-2) inhibitors (Kalgutkar et al. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 925-930). This paper summarizes details of the structure-activity studies involved in the transformation of the arylacetic acid NSAID, indomethacin, into a COX-2-selective inhibitor. Many of the structurally diverse indomethacin esters and amides inhibited purified human COX-2 with IC50 values in the low-nanomolar range but did not inhibit ovine COX-1 activity at concentrations as high as 66 μM. Primary and secondary amide analogues of indomethacin were more potent as COX-2 inhibitors than the corresponding tertiary amides. Replacement of the 4- chlorobenzoyl group in indomethacin esters or amides with the 4-bromobenzyl functionality or hydrogen afforded inactive compounds. Likewise, exchanging the 2-methyl group on the indole ring in the ester and amide series with a hydrogen also generated inactive compounds. Inhibition kinetics revealed that indomethacin amides behave as slow, tight-binding inhibitors of COX-2 and that selectivity is a function of the time-dependent step. Conversion of indomethacin into ester and amide derivatives provides a facile strategy for generating highly selective COX-2 inhibitors and eliminating the gastrointestinal side effects of the parent compound.

Heterocyclic compounds as COX-2 inhibitors

-

, (2008/06/13)

The present invention relates to COX-2 inhibitors of the formula: STR1 wherein, A=halogen, C1 -C6 alkyl, SR1 or OR1 ; B=O, or H,H; X=Br or Cl; L=5-,6- or 7-membered heteroatom containing rings and is preferrably a 5-membered heteroaromatics such as thiazole, oxazole, imidazole, or oxadiazole; n=1-6, wherein the (C) is optionally branched; R=optionally substituted aryl wherein aryl is selected from phenyl, pyridyl, naphthyl, benzothienyl, or quinoxolyl, alkyl, carboxyl, esters, amino, amide, or urea; and R1 =alkyl. The compounds are useful as research tools and could be useful as potential therapeutic agents in the inhibition of the PGHS-2 isozyme and in the treatment of inflammation in mammals including humans or other conditions associated with the production of prostaglandins.

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