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2,2,2-TRICHLORO-1-(4-NITRO-1H-PYRROL-2-YL)-ETHANONE is an organochlorine compound with the molecular formula C4H2Cl3NO3, featuring a trichloroethanone group and a 4-nitro-1H-pyrrol-2-yl group. It is a pale yellow crystalline solid with a strong odor and is known for its potential toxicity and environmental impact.

53391-50-7

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53391-50-7 Usage

Uses

Used in Pharmaceutical Industry:
2,2,2-TRICHLORO-1-(4-NITRO-1H-PYRROL-2-YL)-ETHANONE is used as a chemical precursor for the synthesis of various organic compounds, particularly in the development of pharmaceuticals. Its unique structure allows for the creation of new drugs with potential therapeutic applications.
Used in Agricultural Industry:
In the agricultural sector, 2,2,2-TRICHLORO-1-(4-NITRO-1H-PYRROL-2-YL)-ETHANONE serves as a precursor for the synthesis of agrochemicals, including pesticides and herbicides. Its chemical properties enable the development of effective compounds for crop protection and management.

Check Digit Verification of cas no

The CAS Registry Mumber 53391-50-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,3,9 and 1 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 53391-50:
(7*5)+(6*3)+(5*3)+(4*9)+(3*1)+(2*5)+(1*0)=117
117 % 10 = 7
So 53391-50-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H3Cl3N2O3/c7-6(8,9)5(12)4-1-3(2-10-4)11(13)14/h1-2,10H

53391-50-7SDS

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 2,2,2-trichloro-1-(4-nitro-1H-pyrrol-2-yl)ethanone

1.2 Other means of identification

Product number -
Other names trichloronitropyrrolylethanone

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:53391-50-7 SDS

53391-50-7Relevant academic research and scientific papers

U-pin polyamide motif for recognition of the DNA minor groove

Heckel, Alexander,Dervan, Peter B.

, p. 3353 - 3366 (2003)

DNA-binding hairpin pyrrole-imidazole polyamides with γ-aminobutyric acid as a turn-forming residue tolerate A · T or T · A base pairs under the turn. U-pins - polyamides with a different turn - have been synthesized and their DNA binding properties were studied. The two turn-forming residues are connected via the ring nitrogens using variable length aliphatic linkers ((CH2)n, n = 3-6). Through optimization of the linker length and the substituents at the 2-position of the pyrrole residue on the U-turn, polyamides with G · C/C · G tolerant turns could be found, which bind to DNA in a predictable manner.

TGF BETA RECEPTOR ANTAGONISTS

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Page/Page column 99; 100, (2017/03/08)

The invention relates generally to compounds that modulate the activity of TGFβR-1 and TGFβ R-2, pharmaceutical compositions containing said compounds and methods of treating proliferative disorders and disorders of dysregulated apoptosis, such as cancer, utilizing the compounds of the invention.

Synthesis of novel 4-nitropyrrole-based semicarbazide and thiosemicarbazide hybrids with antimicrobial and anti-tubercular activity

Rane, Rajesh A.,Naphade, Shital S.,Bangalore, Pavan Kumar,Palkar, Mahesh B.,Shaikh, Mahamadhanif S.,Karpoormath, Rajshekhar

, p. 3079 - 3083 (2014/06/24)

We report the synthesis and screening of forty novel 4-nitropyrrole- semicarbazide conjugates inspired from the reported bio-potential of bromopyrrole alkaloids and semicarbazide derivatives for antimicrobial activity. Herein, hybrids 5k-5o, 5r, 5s and 5t

Synthesis of novel 4-nitropyrrole-based semicarbazide and thiosemicarbazide hybrids with antimicrobial and anti-tubercular activity

Rane, Rajesh A.,Naphade, Shital S.,Bangalore, Pavan Kumar,Palkar, Mahesh B.,Shaikh, Mahamadhanif S.,Karpoormath, Rajshekhar

supporting information, p. 3079 - 3083 (2015/02/19)

We report the synthesis and screening of forty novel 4-nitropyrrole-semicarbazide conjugates inspired from the reported bio-potential of bromopyrrole alkaloids and semicarbazide derivatives for antimicrobial activity. Herein, hybrids 5k-5o, 5r, 5s and 5t

Synthesis and evaluation of novel 4-nitropyrrole-based 1,3,4-oxadiazole derivatives as antimicrobial and anti-tubercular agents

Rane, Rajesh A.,Bangalore, Pavankumar,Borhade, Sheetal D.,Khandare, Preeti K.

, p. 49 - 58 (2013/11/06)

We report synthesis and antimicrobial evaluation of 42 novel 4-nitropyrrole-based 1,3,4-oxadiazoles. The synthesized molecules were evaluated for anti-bacterial, anti-fungal and anti-tubercular activities. Promisingly, most of the compounds showed equal o

A sweet origin for the key congocidine precursor 4-acetamidopyrrole-2- carboxylate

Lautru, Sylvie,Song, Lijiang,Demange, Luc,Lombès, Thomas,Galons, Hervé,Challis, Gregory L.,Pernodet, Jean-Luc

supporting information; experimental part, p. 7454 - 7458 (2012/09/21)

Feeding (Streptomyces) frenzy: Natural products belonging to the pyrrolamide family are defined by their pyrrole-2-carboxamide moiety. 4-acetamidopyrrole-2-carboxylate is identified as the key pyrrolamide congocidine precursor (see scheme) through feeding studies using Streptomyces ambofaciens. The biosynthetic pathway of congocidine starts with the carbohydrate N-acetylglucosamine and involves carbohydrate-processing enzymes. Copyright

PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS

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Page/Page column 104, (2011/02/24)

The invention provides compounds of formula l: ( I ) or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for suppressing an immune response or treating cancer or a hematologic malignancy using compounds of formula I.

HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS

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Page/Page column 92-93, (2011/12/14)

The invention provides compounds of formula I: or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for suppressing an immune response or treating cancer or a hematologic malignancy using compounds of formula I.

3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES

-

Page/Page column 46-47, (2010/04/25)

Compounds which are 4,7-disubstituted derivatives of3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one compounds, or pharmaceutically acceptable salts thereof, their preparation process and pharmaceutical compositions comprising them are disclosed; these compound

New guanidinium-based carboxylate receptors derived from 5-amino-pyrrole-2-carboxylate: Synthesis and first binding studies

Schmuck, Carsten,Dudaczek, Jürgen

, p. 7101 - 7105 (2007/10/03)

The syntheses of two new guanidinium-based carboxylate receptors 2a,b derived from 5-amino pyrrole-2-carboxylate 4 are described. These receptors bind N-acetyl alanine carboxylate and O-acetyl lactate efficiently in aqueous DMSO as could be shown by NMR studies. However, compared to previously reported guanidiniocarbonyl pyrrole receptors 1, the reversal in the direction of the amide group in 2a,b changes both the substrate selectivity (amides are now preferred over esters) and their relative binding affinities. Both effects can be explained based on the calculated complex structure.

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