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2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione is a chemical compound with the molecular formula C13H10BrNO3. It is a synthetic intermediate characterized by a 4-bromo-3-oxobutyl group attached to an isoindoline-1,3-dione ring structure. 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione is a potent electrophile and can participate in a variety of chemical reactions, making it useful in organic synthesis. Its unique structure and reactivity also make it a valuable tool for medicinal chemistry research and drug discovery.

51132-00-4

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51132-00-4 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione is used as a synthetic intermediate for the production of various pharmaceuticals and organic compounds. Its potent electrophilic nature allows it to be a key component in the synthesis of new drug molecules, contributing to the development of novel therapeutic agents.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione is utilized as a valuable tool for drug discovery. Its unique structure and reactivity enable researchers to explore its potential in the design and synthesis of new bioactive molecules, which can be further optimized for therapeutic applications.
Used in Organic Synthesis:
2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione is employed as a versatile building block in organic synthesis. Its ability to undergo various chemical reactions allows chemists to incorporate it into the synthesis of complex organic compounds, expanding the scope of chemical structures that can be accessed for potential applications in materials science, agrochemicals, and other industries.

Check Digit Verification of cas no

The CAS Registry Mumber 51132-00-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,1,3 and 2 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 51132-00:
(7*5)+(6*1)+(5*1)+(4*3)+(3*2)+(2*0)+(1*0)=64
64 % 10 = 4
So 51132-00-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H10BrNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2

51132-00-4SDS

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 2-(4-bromo-3-oxobutyl)isoindole-1,3-dione

1.2 Other means of identification

Product number -
Other names 2-(4-BROMO-3-OXOBUTYL)-1H-ISOINDOLE-1,3(2H)-DIONE

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:51132-00-4 SDS

51132-00-4Relevant academic research and scientific papers

TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF

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Page/Page column 53, (2016/10/24)

Disclosed are compounds of Formula (I) or a salt thereof, wherein: X is N; W is: -(CR3R3)2-5-, -(CR3R3)x-Y-(CR3R3)y-, -Y-(CR3R3)2-3-Y-, -CR3R3-Y-(CR3R3)2-Y-,-Y-(CR3R3)2-Y-CR3R3-; and Y, R1, R2, R3, R5, R6, R8, x, and y are define herein. Also disclosed ar

Hit-to-Lead Optimization of a Novel Class of Potent, Broad-Spectrum Trypanosomacides

Russell, Stephanie,Rahmani, Rapha?l,Jones, Amy J.,Newson, Harriet L.,Neilde, Kevin,Cotillo, Ignacio,Rahmani Khajouei, Marzieh,Ferrins, Lori,Qureishi, Sana,Nguyen, Nghi,Martinez-Martinez, Maria S.,Weaver, Donald F.,Kaiser, Marcel,Riley, Jennifer,Thomas, John,De Rycker, Manu,Read, Kevin D.,Flematti, Gavin R.,Ryan, Eileen,Tanghe, Scott,Rodriguez, Ana,Charman, Susan A.,Kessler, Albane,Avery, Vicky M.,Baell, Jonathan B.,Piggott, Matthew J.

, p. 9686 - 9720 (2016/11/19)

The parasitic trypanosomes Trypanosoma brucei and T. cruzi are responsible for significant human suffering in the form of human African trypanosomiasis (HAT) and Chagas disease. Drugs currently available to treat these neglected diseases leave much to be

Perspectives on the synthesis and use of ageladine A

Mordhorst, Thorsten,Bickmeyer, Ulf

, p. 4363 - 4366 (2015/06/22)

Focusing on the marine-derived alkaloid ageladine A ([4-(4,5-dibromo-1H-pyrrol-2-yl)]-1H-imidazo[4,5-c]pyridin-2-amine trifluoroacetate), we combined and modified published strategies to develop a synthesis method with easily managed reaction steps that allows gram-scale batch synthesis. On exploration additional features of the fluorescent properties of the compound were revealed. In tissues and cells of a marine flatworm, the emission profile shifted to longer wavelengths than in water. The fluorescence emission maximum shifted around 30-450 nm and the profile showed sufficient intensity at approximately 550 nm and above.

HETEROCYCLIC COMPOUNDS AND USE OF SAME

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Paragraph 0023; 0034; 00237, (2016/01/08)

Novel heterocyclic compounds are provided which display useful efficacy in the treatment of diseases caused by trypanosomatids. Particularly, the compounds of the invention are useful in the treatment of HAT and/or Chagas disease and/or Animal African trypanosomiasis (AAT).

1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS

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Page/Page column 72, (2014/01/18)

The present invention relates to 1-phenyl-substituted heterocyclyl derivatives of the formula (I), wherein Y, Z, R1, R2, R3 and R4 are as described in the description and their use as prostaglandin receptor modulators, most particularly as prostaglandin D2 receptor modulators, in the treatment of various prostaglandin-mediated diseases and disorders, to pharmaceutical compositions containing these compounds and to processes for their preparation.

Total syntheses of oroidin, hymenidin and clathrodin

Rasapalli, Sivappa,Kumbam, Venkatreddy,Dhawane, Abasaheb N.,Golen, James A.,Lovely, Carl J.,Rheingold, Arnold L.

supporting information, p. 4133 - 4137 (2013/07/05)

The total syntheses of oroidin, hymenidin and clathrodin are reported via the intermediacy of an imidazo[1,2-a]pyrimidine derivative. The chemistry described herein obviates the need for expensive guanidine reagents, multiply protected prefunctionalized 2-aminoimidazole synthons, or the need for laborious olefinations thereby achieving synthetic efficiency amenable to scale-up. The approach outlined in this manuscript provides an opportunity for further functionalizations through the imidazo[1,2-a]pyrimidine core and through functional groups placed strategically on the side chain.

Process research for multikilogram production of etamicastat: A novel dopamine β-hydroxylase inhibitor

Beliaev, Alexandre,Wahnon, Jorge,Russo, Domenico

scheme or table, p. 704 - 709 (2012/07/03)

In order to develop a manufacturing route to etamicastat, three synthetic approaches to the pivotal chiral 3-aminochroman intermediate have been studied as well as four methods for the construction of the 2-aminoethyl imidazolethione fragment. The evoluti

Synthesis and antiviral activity of novel 1,3,4-thiadiazine derivatives

Yang, Yajun,Feng, Ziming,Jiang, Jianshuang,Yang, Yanan,Pan, Xiandao,Zhang, Peicheng

scheme or table, p. 1016 - 1019 (2011/10/08)

A series of novel 1,3,4-thiadiazine derivatives were synthesized via chemical optimization on phthiobuzone. Their anti-herpes simplex virus (HSV) activities in vitro were also tested. Several compounds exhibited more highly potent anti-HSV activity and much higher selectivity index (SI) values than those of phthiobuzone. The most potent anti-HSV compound was 4f, which showed marked inhibition against HSV-1 (IC50=77.04μg/ml) and HSV-2 (IC50=30.00μg/ml). Meanwhile it had low cytotoxicity (CC 50=1000.00μg/ml), resulting in high (SIHSV-1= 12.98, SIHSV-2=33.33, respectively). Furthermore, a computational study for prediction of absorption, distribution, metabolism, excretion (ADME) properties of compound 4f was performed by determination of topological polar surface area, absorption and Lipinski parameters.

INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS

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Page 39, (2010/02/10)

The present invention relates to compounds of Formula I: I which are agonists of the M-1 muscarinic receptor.

2-Arylimino-2,3-dihydrothiazoles, and their use thereof as somatostatin receptor ligands

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Page column 43-44, (2010/02/06)

The invention concerns novel 2-arylimino-2,3-dihydrothiazole derivatives of general formula (I), their preparation methods and their use as medicines, in particular for treating pathological conditions or diseases wherein one (or several) somatostatin receptors is/are involved. Said pathological conditions include in particular acromegaly, pituitary adenoma or endocrine gastroenteropanceatic tumors including the carcinoid syndrome, and gastrointestinal bleeding. In general formula (I), R1 represents in particular an alkyl, aralkyl, cyclohexyl radical optionally substituted by an amino radical or R1 represents a —C(R11)(R12)—CO—R10 radical wherein R11 represents H, R12 represents in particular H, carbocyclic or heterocyclic alkyl, cycloalkyl or aralkyl and R10 represents in particular an aminoalkylamino radical; R2 represents a carcyclic or heterocyclic aryl radical optionally substituted; R3 represents in particular COR5 or a carbocyclic or heterocyclic alkyl, adamantyl, aryl radical optionally substituted, carbocyclic or heterocyclic aralkyl optionally substituted on the aryl group; and R5 represents a radical fixed by a nitrogen atom to the group CO.

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