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3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID is a chemical compound characterized by its molecular formula C11H10BrNO2. It is a derivative of indole, a heterocyclic aromatic organic compound, with a propionic acid group attached to an indole ring that features a bromine substituent at the 5-position. The bromine atom classifies it as a halogenated compound, which may contribute to its unique properties and potential applications in various fields. Due to its chemical structure, it is likely to be used in pharmaceutical research and as a precursor to other organic compounds. Careful handling is advised due to potential hazards associated with its use.

54904-23-3

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54904-23-3 Usage

Uses

Used in Pharmaceutical Research:
3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID is used as a research compound for its potential role in the development of new pharmaceuticals. Its unique structure, including the bromine substituent, may offer specific binding or reactivity properties that are valuable in medicinal chemistry.
Used as a Precursor in Organic Synthesis:
In the chemical industry, 3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID is used as a precursor to other organic compounds. Its indole core and bromine atom can be utilized in the synthesis of various complex organic molecules, potentially leading to new materials or pharmaceutical agents.
Used in Chemical Education and Analysis:
3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID may also serve as an educational tool in teaching the principles of organic chemistry, particularly in the context of halogenated compounds and their properties. Additionally, it could be used in analytical chemistry for the development of new methods or techniques for the detection and analysis of similar compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 54904-23-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,9,0 and 4 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 54904-23:
(7*5)+(6*4)+(5*9)+(4*0)+(3*4)+(2*2)+(1*3)=123
123 % 10 = 3
So 54904-23-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H10BrNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)

54904-23-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(5-bromo-1H-indol-3-yl)propanoic acid

1.2 Other means of identification

Product number -
Other names 5-Bromo-Indol-3-propanoic 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:54904-23-3 SDS

54904-23-3Downstream Products

54904-23-3Relevant academic research and scientific papers

TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF

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Paragraph 0212; 0214, (2020/12/22)

Disclosed are a novel tetrahydroisoquinoline compound, a method for preparing intermediates thereof, a pharmaceutical composition thereof and the use thereof. The tetrahydroisoquinoline compound of the present invention has a good inhibitory effect on phosphodiesterase (PDE4), and can be used in the prevention, treatment or auxiliary treatment of multiple diseases associated with the activity or expression of phosphodiesterase, especially PDE4-associated immune and inflammatory diseases, such as psoriasis and arthritis. (I)

Hypervalent Iodine-Mediated Cyclization of Homotryptamine Derivatives

Jiang, Xinpeng,Zhu, Weijie,Yang, Liechao,Zheng, Zicong,Yu, Chuanming

supporting information, p. 2268 - 2274 (2019/04/03)

A facile and efficient cyclization of homotryptamines and their derivatives has been established for the construction of 4a-chlorotetrahydropyrido[2,3-b]indoles and 3,3-spirocyclic 3H-indoles using hypervalent iodine (1-chloro-1,2-benziodoxol-3-one) under mild conditions. The broad substrate scope and successful gram-scale experiment grant this metal-free transformation great potential for further application.

Indole-derived psammaplin a analogues as epigenetic modulators with multiple inhibitory activities

Pereira, Raquel,Benedetti, Rosaria,Pérez-Rodríguez, Santiago,Nebbioso, Angela,García-Rodríguez, José,Carafa, Vincenzo,Stuhldreier, Mayra,Conte, Mariarosaria,Rodríguez-Barrios, Fátima,Stunnenberg, Hendrik G.,Gronemeyer, Hinrich,Altucci, Lucia,De Lera, ángel R.

, p. 9467 - 9491 (2013/01/16)

A SAR study has been carried out around a modified scaffold of the natural product psammaplin A obtained by replacing the o-bromophenol unit by an indole ring. A series of indole psammaplin A constructs were generated in a short synthetic sequence that starts with the functionalization of the C3 indole position with in situ generated nitrosoacrylate, and this is followed by protection of the β-indole-α-oximinoesters, saponification, condensation with symmetrical diamines, and deprotection. Biochemical and cellular characterization using U937 and MCF-7 cells confirmed that many of these analogues displayed more potent actitivies than the parent natural product. Moreover, in addition to the reported HDAC and DNMT dual epigenetic inhibitory profile of the parent compound, some analogues, notably 4a (UVI5008), also inhibited the NAD+-dependent SIRT deacetylase enzymes. The SAR study provides structural insights into the mechanism of action of these multiple epigenetic ligands and paves the way for additional structural exploration to optimize their pharmacological profiles. Because of their multi(epi)target features and their action in ex vivo samples, the indole-based psammaplin A derivatives are attractive molecules for the modulation of epigenetic disorders.

PPAR ACTIVE COMPOUNDS

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Page 131-132, (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

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, (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.

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