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1H-Indole,5-(1-methylethoxy)-(9CI) is a chemical compound with the molecular formula C13H15NO, belonging to the class of indole compounds. It features a heterocyclic aromatic structure with a six-membered ring fused to a five-membered nitrogen-containing ring, and is distinguished by a 1-methylethoxy group attached to the fifth carbon of the indole ring. 1H-Indole,5-(1-methylethoxy)-(9CI) is known for its unique properties and functional groups, making it valuable in various chemical and medical applications.

396091-50-2

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396091-50-2 Usage

Uses

Used in Pharmaceutical Industry:
1H-Indole,5-(1-methylethoxy)-(9CI) is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and functional groups contribute to the development of new drugs with potential therapeutic effects.
Used in Agrochemical Industry:
1H-Indole,5-(1-methylethoxy)-(9CI) is also utilized in the production of agrochemicals, where it serves as a building block for the creation of new pesticides or other agricultural chemicals that can enhance crop protection and yield.
Used in Organic Compounds Synthesis:
1H-Indole,5-(1-methylethoxy)-(9CI) is employed as a versatile starting material in the synthesis of a wide range of organic compounds. Its reactivity and structural features allow for the formation of diverse chemical entities with potential applications in various industries.
As research and development in the chemical and medical fields continue, the potential uses of 1H-Indole,5-(1-methylethoxy)-(9CI) may expand, revealing new opportunities for its application in innovative products and processes.

Check Digit Verification of cas no

The CAS Registry Mumber 396091-50-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,9,6,0,9 and 1 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 396091-50:
(8*3)+(7*9)+(6*6)+(5*0)+(4*9)+(3*1)+(2*5)+(1*0)=172
172 % 10 = 2
So 396091-50-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3

396091-50-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-propan-2-yloxy-1H-indole

1.2 Other means of identification

Product number -
Other names 5-Isopropoxy-1H-indole

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:396091-50-2 SDS

396091-50-2Relevant academic research and scientific papers

Discovery of novel indolinone-based, potent, selective and brain penetrant inhibitors of LRRK2

Troxler, Thomas,Greenidge, Paulette,Zimmermann, Kaspar,Desrayaud, Sandrine,Drückes, Peter,Schweizer, Tatjana,Stauffer, Daniela,Rovelli, Giorgio,Shimshek, Derya R.

, p. 4085 - 4090 (2013/07/25)

Mutations in leucine-rich repeat kinase-2 (LRRK2) are the most common genetic cause of Parkinson's disease (PD). The most frequent kinase-enhancing mutation is the G2019S residing in the kinase activation domain. This opens up a promising therapeutic avenue for drug discovery targeting the kinase activity of LRRK2 in PD. Several LRRK2 inhibitors have been reported to date. Here, we report a selective, brain penetrant LRRK2 inhibitor and demonstrate by a competition pulldown assay in vivo target engagement in mice.

Studies towards the synthesis of montamine: Synthesis of the 1,2-bis(indolyl)ethylhydrazine fragment

Blair, Lachlan M.,Sperry, Jonathan

, p. 1980 - 1982 (2013/04/10)

The synthesis of a protected 1,2-bis(indolyl)ethylhydrazine bearing the full substitution pattern present in the unusual dimeric alkaloid montamine is described. A variant of the Mitsunobu reaction was used to incorporate directly the reduced azodicarboxy

Convenient modification of the Leimgruber-Batcho indole synthesis: Reduction of 2-nitro-p-pyrrolidinostyrenes by the FeCl3-activated carbon-N2H4H2O system

Taydakov,Dutova,Sidorenko,Krasnoselsky

, p. 425 - 434 (2012/01/13)

A new catalytic system containing ferric chloride, activated carbon, and hydrazine has been proposed for the reductive cyclization of β-dialkylamino-2-nitrostyrenes to give the corresponding indoles (Leimgruber-Batcho synthesis). Various substituted indoles may be obtained in high yield under these conditions.

JAK INHIBITOR

-

Page/Page column 92, (2009/10/21)

A JAK inhibitor comprising, as an active ingredient, a nitrogen-containing heterocyclic compound represented by formula (I) {wherein W represents a nitrogen atom or -CH-; X represents -C (=O) - or -CHR4- (wherein R4 represents a hydrogen atom, or the like); R1 represents the formula described below [wherein Q1 represents-CR8-(wherein R8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); Q2 represents -NR15- (wherein R15 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); and R5 and R6 may be the same or different and each represents a hydrogen atom, halogen, carboxy, substituted or unsubstituted lower alkyl, or the like], or the like; and R2 and R3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof.

Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure-activity relationships and molecular modeling studies

La Regina, Giuseppe,Edler, Michael C.,Brancale, Andrea,Kandil, Sahar,Coluccia, Antonio,Piscitelli, Francesco,Hamel, Ernest,De Martino, Gabriella,Matesanz, Ruth,Díaz, José Fernando,Scovassi, Anna Ivana,Prosperi, Ennio,Lavecchia, Antonio,Novellino, Ettore,Artico, Marino,Silvestri, Romano

, p. 2865 - 2874 (2008/02/08)

The new arylthioindole (ATI) derivatives 10, 14-18, and 21-24, which bear a halogen atom or a small size ether group at position 5 of the indole moiety, were compared with the reference compounds colchicine and combretastatin A-4 for biological activity. Derivatives 10, 11, 16, and 21-24 inhibited MCF-7 cell growth with IC50 values 2/M phase at 24 h, and at 48 h, 26% of the cells were hyperploid. Molecular modeling studies showed that, despite the absence of the ester moiety present in the previously examined analogues, most of the compounds bind in the colchicine site in the same orientation as the previously studied ATIs. Binding to β-tubulin involved formation of a hydrogen bond between the indole and Thr179 and positioning of the trimethoxy phenyl group in a hydrophobic pocket near Cys241.

PPAR ACTIVE COMPOUNDS

-

Page 102, (2008/06/13)

Compounds are described that are active on PPARs, including pan-active compounds. Also described are methods for developing or identifying compounds having a desired selectivity profile.

PPAR active compounds

-

, (2008/06/13)

Compounds are described that are active on PPARs, including pan-active compounds. Also described are methods for developing or identifying compounds having a desired selectivity profile.

The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists.

Buchheit,Gamse,Giger,Hoyer,Klein,Kloeppner,Pfannkuche,Mattes

, p. 2331 - 2338 (2007/10/02)

A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as partial agonists emerged from this study. For example, 1b,d were found to be the most potent, full 5-HT4 receptor agonist described so far (EC50 = 0.5 and 0.8 nM, respectively), being 6 and 4 times more potent than serotonin itself. On the other hand, 5b and 1h appeared as partial 5-HT4 receptor agonists in the nonstimulated guinea pig ileum preparation with potencies, evaluated against serotonin action, respectively similar (5b, Ki = 12 nM) to and 300-fold higher (1h, Ki = 0.04 nM) than serotonin.

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