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3H-Benz[e]indole-2-carboxylic acid, also known as bendothiophene carboxylic acid, is a chemical compound with the molecular formula C13H9NO2. It is an aromatic carboxylic acid that features a benzene ring fused with both a five-membered and a six-membered ring, along with a carboxylic acid functional group. 3H-Benz[e]indole-2-carboxylic acid is recognized for its potential biological activities, including anti-inflammatory and anti-cancer properties, making it a compound of interest for medicinal research and development.

50536-72-6

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50536-72-6 Usage

Uses

Used in Pharmaceutical Synthesis:
3H-Benz[e]indole-2-carboxylic acid is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and functional groups make it a valuable building block for creating new drugs with potential therapeutic benefits.
Used in Agrochemical Development:
In addition to its pharmaceutical applications, 3H-Benz[e]indole-2-carboxylic acid is also used in the development of agrochemicals. Its incorporation into these chemical products can contribute to the creation of more effective solutions for agricultural challenges.
Used in Medicinal Research:
Due to its potential biological activities, such as anti-inflammatory and anti-cancer properties, 3H-Benz[e]indole-2-carboxylic acid is employed in medicinal research. Researchers explore its properties to develop new treatments and therapies for various diseases and conditions.
Used in Organic Compound Synthesis:
3H-Benz[e]indole-2-carboxylic acid is also used as a building block in the synthesis of organic compounds. Its distinctive structure allows for the creation of a wide range of organic molecules for various applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 50536-72-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,5,3 and 6 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 50536-72:
(7*5)+(6*0)+(5*5)+(4*3)+(3*6)+(2*7)+(1*2)=106
106 % 10 = 6
So 50536-72-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H9NO2/c15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)14-12/h1-7,14H,(H,15,16)

50536-72-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3H-Benzo[e]indole-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 3H-Benz[e]indol-2-carbonsaeure

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:50536-72-6 SDS

50536-72-6Relevant academic research and scientific papers

Synthesis of 3H-Benzo[e]indoline and Its Application to Small-Molecule Organic Solar Cells

Chen, Yao,Wu, Jianglin,Yang, Lin,Hu, Bin,Yang, Daobin,Lu, Zhiyun,Huang, Yan

supporting information, p. 8747 - 8750 (2018/05/30)

A squaraine-based small molecule (USQ-BI) bearing 3H-benzo[e]indoline was synthesized as an electron donor, and the corresponding organic solar cells show power conversion efficiency of 5.35 % with an excellent short circuit current of over 15 mA cm?2. The hole mobility of USQ-BI was about 5 times (9.57×10?5 vs. 2.00×10?5 cm2 V?1 s?1) higher than that of indoline-based squaraine.

4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS

-

Page/Page column 129, (2008/12/07)

The present invention relates to 4, 5 - ring annulated indole derivatives of formula ( I ), compositions comprising at leas t one 4, 5 - ring annulated indole derivatives, and methods of using the 4, 5 - ring annulated ^ndole derivatives for treating or preventing a viral inf ection or a virus - related disorder in a patient, (I) wherein ring Z of formula (I), is cyclohexyl, cyclohexenyl, 6-membered heterocycloalkyl, 6- membered heterocycloalkenyl, 6-membered aryl or 6-membered heteroaryl, wherein R1, R2, R3, R6. R7 and R10 are as described herein.

CBI analogues of the duocarmycins and CC-1065

-

Page 31, (2010/02/10)

An extensive series of CBI analogues of the duocarmycins and CC-1065 exploring substituent effects within the first indole DNA binding subunit is detailed. In general, substitution at the indole C5 position led to cytotoxic potency enhancements that can be ≧1000-fold providing simplified analogues containing a single DNA binding subunit that are more potent (IC50=2-3 pM) than CBI-TMI, duocarmycin SA, or CC-1065. The increases in cytotoxicity correlate well with accompanying increases in the rate and efficiency of DNA alkylation. This effect is more pronounced with the CBI versus DSA or CPI based analogues. Moreover, this effect is largely insensitive to the electronic character of the C5 substituent but is sensitive to the size, rigid length, and shape (sp, sp2, sp3 hybridization) of this substituent consistent with expectation that the impact is due simply to its presence.

The synthesis and evaluation of benzannelated-azatoxins: The benzazatoxins

Miller, Thomas A.,Vachaspati, Prakash R.,Labroli, Marc A.,Thompson, Charles D.,Bulman, Amanda L.,Macdonald, Timothy L.

, p. 1065 - 1070 (2007/10/03)

The synthesis and evaluation of azatoxin congeners possessing annealed aromatic frameworks are described. The compounds were evaluated for their abilities to affect topoisomerase II inhibition through the stabilization of 'cleavable complex' and for the inhibition of tubulin polymerization using purified bovine brain tubulin.

Anti-aids piperazines

-

, (2008/06/13)

The present invention includes diaromatic substituted heterocyclic compounds (III) STR1 which are useful in treating individuals infected with the HIV virus. The invention includes certain previously generically disclosed anti-AIDS piperazinyl compounds (V) and a method of treating HIV infected individuals with the indoles of formula (V) and the anti-AIDS amines (X).

Reactions SRN1. Syntheses d'heterocycles azotes, soufres, phosphores accoles au naphtalene

Beugelmans, Rene,Chbani, Mohamed

, p. 729 - 733 (2007/10/02)

1-Bromo-2-naphthylamine or 2-bromo-1-napthylamine were used as substrates and treated with various nucleophiles, such as ketone enolates, phosphonates or thiolates, under SRN1 conditions to afford benzo- or benzoindoles, naphthoazaphospho

Indole-carboxylic carbon compounds and pharmaceutical compositions containing them

-

, (2008/06/13)

Indole-carboxylic acid compounds of the formula: STR1 wherein R1 is lower alkyl or alkoxy radical or halogen; R2 is halogen; lower alkyl or alkoxy radical; or R1 and R2 can together also form an alkylene bridge containing 3 to 5 carbon atoms, which can optionally contain one or more double bonds; and, but less preferably, when R1 is a lower alkyl or alkoxy radical, R2 can also be a hydrogen atom, and physiologically compatible salts and esters thereof, Are outstandingly effective as blood sugar-lowering agents.

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