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5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is a chemical compound belonging to the indole class of organic compounds, characterized by a molecular formula of C10H8ClNO2. 5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID features a chlorine atom at the 5th position, a methyl group at the 3rd position, and a carboxylic acid group at the 2nd position of the indole ring. It is recognized for its potential as a building block in the synthesis of pharmaceuticals and agrochemicals, as well as for its possible anti-inflammatory and anti-tumor properties, which make it a subject of interest for research in medicinal chemistry and drug development.

16381-47-8

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16381-47-8 Usage

Uses

Used in Pharmaceutical Synthesis:
5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is used as a key building block in the pharmaceutical industry for the synthesis of structurally diverse molecules with various biological activities. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Synthesis:
In the agrochemical industry, 5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is utilized as a starting material for the creation of molecules with pesticidal properties, contributing to the development of effective and environmentally friendly crop protection agents.
Used in Medicinal Chemistry Research:
5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is employed as a subject of study in medicinal chemistry, where its anti-inflammatory and anti-tumor properties are investigated. This research aims to uncover its potential for the development of new therapeutic agents for the treatment of various diseases.
Used in Drug Development:
Due to its promising biological activities, 5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is used in drug development processes to create new pharmaceuticals with potential applications in treating inflammation and tumors. Its unique structure and properties make it a valuable candidate for further exploration and optimization in the quest for novel therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 16381-47-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,3,8 and 1 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 16381-47:
(7*1)+(6*6)+(5*3)+(4*8)+(3*1)+(2*4)+(1*7)=108
108 % 10 = 8
So 16381-47-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H8ClNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)

16381-47-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-CHLORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID

1.2 Other means of identification

Product number -
Other names 5-chloro-3-methylindole-2-carboxylic 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:16381-47-8 SDS

16381-47-8Relevant academic research and scientific papers

Design and synthesis of novel 2,3-dihydropyrazino[1,2-a]indole-1,4-dione derivatives as antiproliferative EGFR and BRAFV600E dual inhibitors

Abdelrahman, Mostafa H.,Abdu-Allah, Hajjaj H. M.,Abou-Ghadir, Ola F.,Al-Wahaibi, Lamya H.,Ali, Asmaa T.,Farghaly, Hatem S.,Gouda, Ahmed M.,Salem, Ola I. A.,Trembleau, Laurent,Youssif, Bahaa G. M.

, (2020/09/15)

Recent studies have shown additive and synergistic effects associated with the combination of kinase inhibitors. BRAFV600E and EGFR are attractive targets for many diseases treatments and have been studied extensively. In keeping with our interest in developing anticancer targeting EGFR and BRAFV600E, a novel series of 2,3-dihydropyrazino[1,2-a]indole-1,4-dione has been rationally designed, synthesized and evaluated for their antiproliferative activity against a panel of four human cancer cell lines. Compounds 20–23, 28–31, and 33 showed promising antiproliferative activities. These compounds were further tested for their inhibitory potencies against EGFR and BRAFV600E kinases with erlotinib as a reference drug. Compounds 23 and 33 exhibited equipotency to doxorubicin against the four cell lines and efficiently inhibited both EGFR (IC50 = 0.08 and 0.09 μM, respectively) and BRAFV600E (IC50 = 0.1 and 0.29 μM, respectively). In cell cycle study of MCF-7 cell line, compounds 23 and 33 induced apoptosis and exhibited cell cycle arrest in both Pre-G1 and G2/M phases. Molecular docking analyses revealed that the new compounds can fit snugly into the active sites of EGFR, and BRAFV600E kinases. Compound 23, 31 and 33 adopted similar binding orientations and interactions to those of erlotinib and vemurafenib.

Indole-2-carboxamides as allosteric modulators of the cannabinoid CB 1 receptor

Piscitelli, Francesco,Ligresti, Alessia,La Regina, Giuseppe,Coluccia, Antonio,Morera, Ludovica,Allarà, Marco,Novellino, Ettore,Di Marzo, Vincenzo,Silvestri, Romano

supporting information; experimental part, p. 5627 - 5631 (2012/08/28)

We synthesized new N-phenylethyl-1H-indole-2-carboxamides as the first SAR study of allosteric modulators of the CB1 receptor. The presence of the carboxamide functionality was required in order to obtain a stimulatory effect. The maximum stimulatory activity on CB1 was exerted by carboxamides 13 (EC50 = 50 nM) and 21 (EC50 = 90 nM) bearing a dimethylamino or piperidinyl group, respectively, at position 4 of the phenethyl moiety and a chlorine atom at position 5 of the indole.

N- (ARYLALKYL) - 1H- INDOLE- 2 - SULFONIC ACID AMIDE COMPOUNDS AND THEIR THERAPEUTIC USE AS CANNABINOID ALLOSTERIC MODULATORS

-

Page/Page column 100-101, (2012/09/21)

The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain /V-(arylalkyl)-1 H-indole- 2-sulfonic acid amide compounds that, inter alia, inhibit cannabinoid receptor signalling. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cannabinoid receptor signalling; to treat disorders that are ameliorated by the inhibition of cannabinoid receptor signalling; to treat metabolic syndrome, type-2 diabetes, dyslipidaemia, obesity, eating disorders, cardiovascular diseases and disorders, and other conditions as described herein.

PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS

-

Page/Page column 59, (2010/02/11)

The present invention is directed to a compound of formula (I), or a pharmaceutically acceptable salt, solvate hydrate or stereoisomer thereof, which is useful in treating or preventing disorders mediated by a peroxisome proliferator activated receptor (PPAR) such as syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to syndrome X and cardiovascular diseases.

Substituted n-(indole-2-carbonyl-) amides and derivatives as glycogen phosphorylase inhibitors

-

, (2008/06/13)

Compounds of the formula I: and their compositions are useful as glycogen phosphorylase inhibitors.

Regiospecific Bromination of 3-Methylindoles with NBS and Its Application to the Concise Synthesis of Optically Active Unusual Tryptophans Present in Marine Cyclic Peptides

Liu, Ruiyan,Zhang, Puwen,Gan, Tong,Cook, James M.

, p. 7447 - 7456 (2007/10/03)

A regiospecific bromination of substituted 3-methylindoles at either the C(3) alkyl moiety or the C(2) position was achieved via a free radical bromination or electrophilic process, respectively. The regiospecificity of the bromination could be controlled by variation of both the substituent and the N(1) protecting group on the indole ring. In addition, enantiospecific syntheses of 5-methoxytryptophan (20) and 5-hydroxy-6-chlorotryptophan (21c) as well as concise syntheses of optically active 2-bromotryptophan ethyl esters 26a,b or their substituted derivatives in three steps from bifunctional dibromoindoles were achieved via the above regiospecific process.

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