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1H-INDOLE-2-CARBONYL CHLORIDE,5-FLUORO- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

79112-09-7

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79112-09-7 Usage

Molecular Structure

1H-Indole-2-carbonyl chloride, 5-fluoroconsists of an indole ring with a carbonyl chloride group (C=O) and a fluorine atom (F) attached at the 5 position.

Functional Groups

The compound contains a carbonyl chloride group and a fluorine atom.

Usage

It is a reagent used in organic synthesis for introducing the carbonyl chloride functional group onto other molecules.

Applications

1H-Indole-2-carbonyl chloride, 5-fluorois a versatile building block in the production of pharmaceuticals, agrochemicals, and other specialty chemicals.

Medicinal Chemistry

It has potential applications in medicinal chemistry for the development of novel drugs and drug candidates.

Value in Research

The chemical is a valuable tool for researchers and chemists working in the field of organic and pharmaceutical chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 79112-09-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,1,1 and 2 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 79112-09:
(7*7)+(6*9)+(5*1)+(4*1)+(3*2)+(2*0)+(1*9)=127
127 % 10 = 7
So 79112-09-7 is a valid CAS Registry Number.

79112-09-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Fluoro-1H-indole-2-carbonyl chloride

1.2 Other means of identification

Product number -
Other names 2-indole carboxylic acid chloride

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:79112-09-7 SDS

79112-09-7Relevant academic research and scientific papers

Real-Time Monitoring of Self-Aggregation of β-Amyloid by a Fluorescent Probe Based on Ruthenium Complex

He, Jun,Li, Xiaoqing,Sun, Ming,Wang, Lu,Xie, Mengting,Yu, Hui-Juan,Yu, Lin,Zhao, Wei

, p. 2953 - 2960 (2020)

Self-accumulation of amyloid-β protein (Aβ) into insoluble fibrils is the major hallmark of Alzheimer's disease. Real-time monitoring of fibril growth is essential for clarifying the mechanism underlying aggregation and discovering therapeutic targets. A variety of approaches including NMR, electron microscopy (EM), atomic force microscopy (AFM), and total internal reflection fluorescence microscopy (TIRFM) have been explored to monitor the fibril growth or reveal morphology of Aβ aggregates. However, none of the methods allow real-time observation under physiological conditions while without any perturbations. Here, we present a fluorescent probe [Ru(phen)2(fipc)]2+ (Ru-fipc) (phen = 1,10-phenanthroline, fipc = 5-fluoro-N-(1,10-phenanthrolin-5-yl)-1H-indole-2-carboxamide) that can bind to all the Aβ forms, i.e., monomers, oligomers, and fibrils, while not perturbing aggregation. Using this probe in combination with laser confocal microscopy, the entire aggregation process could be clearly and exactly imaged at the single fibril level. The reliability of Ru-fipc was confirmed based on colocalization with thioflavin T (ThT). Importantly, Ru-fipc can be used to monitor the very early nucleation and oligomerization process, which is thought to be a critical step in the development of neurotoxicity while it cannot be visualized with ThT. To our knowledge, this is the first fluorescent probe developed for real-time monitoring of Aβ aggregation, especially for the very early assembly stage, in solution with minimal perturbation. This method is suitable for in vitro and in vivo studies. We believe this would provide a valuable complementary tool for the study of pathogenesis and discovery of therapeutic targets of neurodegenerative diseases.

[18F]-labeled positron emission tomography ligand for the histamine H4 receptor

Zak, Agnieszka,Lemaire, Lucas,Chalon, Sylvie,Chicheri, Gabrielle,Marzag, Hamid,Bodard, Sylvie,Sérrière, Sophie,Routier, Sylvain,Buron, Frédéric,Vercouillie, Johnny

, p. 363 - 372 (2021/06/17)

We synthesized 5-[18F]-fluoro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone ([18F]5) via a Suzuki approach starting from a protected pinacol borane precursor followed by acidic hydrolysis of the t-Boc protecting group. The non-optimized radiochemical yield was 5.7 ± 1.35%, radiochemical purity was over 99%, and molar activity was 100.7 ± 34.5 GBq/μmol (n = 3). [18F]5 was stable in rat plasma for at least 4 h and was evaluated by μPET imaging and biodistribution using a unilateral quinolinic acid rat model of neuroinflammation. The time-activity curve showed that [18F]5 entered the brain immediately after intravenous injection and then left it progressively with a very low level reached from 30 min after injection. The biodistribution study showed no difference in the accumulation of [18F]5 between the lesioned and intact side of the brain and between control rats and animals pretreated with a saturating dose of JNJ-7777120 as a specific H4R antagonist. Hence, despite its in vitro nanomolar affinity for H4R, and its ability to cross the blood–brain barrier in rats, [18F]5 does not appear suitable to image in vivo the receptor by PET.

Synthesis of new highly functionalized 1h-indole-2-carbonitriles via cross-coupling reactions

Hrizi, Asma,Cailler, Manon,Romdhani-Younes, Moufida,Carcenac, Yvan,Thibonnet, Jér?me

, (2021/09/06)

An approach for the preparation of polysubstituted indole-2-carbonitriles through a cross-coupling reaction of compounds 1-(but-2-ynyl)-1H-indole-2-carbonitriles and 1-benzyl-3-iodo-1H-indole-2-carbonitriles is described. The reactivity of indole derivatives with iodine at position 3 was studied using cross-coupling reactions. The Sonogashira, Suzuki–Miyaura, Stille and Heck cross-couplings afforded a variety of di-, tri-and tetra-substituted indole-2-carbonitriles.

From methylene bridged diindole to carbonyl linked benzimidazoleindole: Development of potent and metabolically stable PCSK9 modulators

Xie, Haibo,Yang, Ka,Winston-McPherson, Gabrielle N.,Stapleton, Donnie S.,Keller, Mark P.,Attie, Alan D.,Smith, Kerry A.,Tang, Weiping

, (2020/08/21)

Proprotein convertase subtilisin/kexin type 9 (PCSK9) is a recently validated therapeutic target for lowering low-density lipoprotein cholesterol (LDL-C). Through phenotypic screening, we previously discovered a class of small-molecules with a 2,3′-diindolymethane (DIM) skeleton that can decrease the expression of PCSK9. But these compounds have low potency and low metabolically stability. After performing structure-activity relationship (SAR) optimization by nitrogen scan, deuterium substitution and fluorine scan, we identified a series of much more potent and metabolically stable PCSK9 modulators. A preliminary in vivo pharmacokinetic study was performed for representative analogues difluorodiindolyketone (DFDIK) 12 and difluorobenzoimidazolylindolylketone (DFBIIK-1) 13. The in vitro metabolic stability correlate well with the in vivo data. The most potent compound 21 has the EC50 of 0.15 nM. Our SAR studies also indicated that the NH on the indole ring of 21 can tolerate more function groups, which may facilitate the mechanism of action studies and also allow further improvement of the pharmacological properties.

Triarylmethane Fluorophores Resistant to Oxidative Photobluing

Butkevich, Alexey N.,Bossi, Mariano L.,Lukinavi?ius, Gra?vydas,Hell, Stefan W.

supporting information, p. 981 - 989 (2019/01/23)

Spectral stability of small-molecule fluorescent probes is required for correct interpretation and reproducibility of multicolor fluorescence imaging data, in particular under high (de)excitation light intensities of super-resolution imaging or in single-molecule applications. We propose a synthetic approach to a series of spectrally stable rhodamine fluorophores based on sequential Ru- and Cu-catalyzed transformations, evaluate their stability against photobleaching and photoconversion in the context of other fluorophores using chemometric analysis, and demonstrate chemical reactivity of fluorophore photoproducts. The substitution patterns providing the photoconversion-resistant triarylmethane fluorophores have been identified, and the applicability of nonbluing labels in live-cell STED nanoscopy is demonstrated.

Iron(III)-Catalyzed (4 + 2)-Cycloannulation of 2-Hydroxy Ketoxime Ethers with Indol-2-ylamides: Synthesis of Indole-Fused 2-Piperidinones

Schlegel, Marcel,Schneider, Christoph

, p. 5886 - 5892 (2019/04/25)

A highly regio- and diastereoselective (4 + 2)-cycloannulation process of indanone-derived 2-hydroxy ketoxime ethers with 1,4-bisnucleophilic indol-2-ylamides has been developed. In the presence of 5 mol % FeCl3, densely functionalized 2-piperidinones containing two new σ-bonds and two vicinal quaternary stereogenic centers were formed under mild reaction conditions in a one-pot operation. Moreover, most of the products directly precipitated out of the solution and were isolated by simple filtration without purification by column chromatography.

Novel inhibitors of Staphylococcus aureus RnpA that synergize with mupirocin

Lounsbury, Nicole,Eidem, Tess,Colquhoun, Jennifer,Mateo, George,Abou-Gharbia, Magid,Dunman, Paul M.,Childers, Wayne E.

supporting information, p. 1127 - 1131 (2018/02/21)

We recently discovered RnpA as a promising new drug discovery target for methicillin-resistant S. aureus (MRSA). RnpA is an essential protein that is thought to perform two required cellular processes. As part of the RNA degrasome Rnpa mediates RNA degradation. In combination with rnpB it forms RNase P haloenzymes which are required for tRNA maturation. A high throughput screen identified RNPA2000 as an inhibitor of both RnpA-associated activities that displayed antibacterial activity against clinically relevant strains of S. aureus, including MRSA. Structure-activity studies aimed at improving potency and replacing the potentially metabotoxic furan moiety led to the identification of a number of more potent analogs. Many of these new analogs possessed overt cellular toxicity that precluded their use as antibiotics but two derivatives, including compound 5o, displayed an impressive synergy with mupirocin, an antibiotic used for decolonizing MSRA whose effectiveness has recently been jeopardized by bacterial resistance. Based on our results, compounds like 5o may ultimately find use in resensitizing mupirocin-resistant bacteria to mupirocin.

Novel organic ligand, preparation method thereof, novel ruthenium complex and fluorescent probe

-

Paragraph 0055; 0056; 0057, (2017/08/29)

The invention belongs to the technical field of complex, and in particular relates to a novel organic ligand, a preparation method thereof, a novel ruthenium complex and a fluorescent probe. The invention provides the novel organic ligand and the preparation method thereof. The invention also provides the novel ruthenium complex which comprises a compound as shown in Ru[M2(fpic)]X2 and/or hydrate thereof, wherein fpic refers to the novel organic ligand. The invention also provides the fluorescent probe and a pharmaceutical composition. The novel ruthenium complex has preferable water solubility, fine optical properties, long lifetime of excited state, good biocompatibility and simple synthesis steps, and can be used as a novel fluorescent molecular probe to be applied in the field of fluorescent biological imaging in research of life science.

Design, synthesis and structure-activity relationship studies of novel and diverse cyclooxygenase-2 inhibitors as anti-inflammatory drugs

Hayashi, Shigeo,Ueno, Naomi,Murase, Akio,Takada, Junji

, p. 846 - 867 (2015/02/19)

Because of the pivotal role of cyclooxygenase (COX) in the inflammatory processes, non-steroidal anti-inflammatory drugs (NSAIDs) that suppress COX activities have been used clinically for the treatment of inflammatory diseases/syndromes; however, traditional NSAIDs exhibit serious side-effects such as gastrointestinal damage and hyper sensitivity owing to their COX-1 inhibition. Also, COX-2 inhibition-derived suppressive or preventive effects against initiation/proliferation/invasion/motility/recurrence/metastasis of various cancers/tumours such as colon, gastric, skin, lung, liver, pancreas, breast, prostate, cervical and ovarian cancers are significant. In this study, design, synthesis and structure-activity relationship (SAR) of various novel {2-[(2-, 3- and/or 4-substituted)-benzoyl, (bicyclic heterocycloalkanophenyl)carbonyl or cycloalkanecarbonyl]-(5- or 6-substituted)-1H-indol-3-yl}acetic acid analogues were investigated to seek and identify various chemotypes of potent and selective COX-2 inhibitors for the treatment of inflammatory diseases, resulting in the discovery of orally potent agents in the peripheral-inflammation model rats. The SARs and physicochemical properties for the analogues are described as significant findings. For graphical abstract: see Supplementary Material. (www.informahealthcare.com/enz)

Synthesis and anticancer activity of analogues of phenstatin, with a phenothiazine A-ring, as a new class of microtubule-targeting agents

Abuhaie, Cristina-Maria,B?cu, Elena,Rigo, Beno?t,Gautret, Philippe,Belei, Dalila,Farce, Amaury,Dubois, Jo?lle,Ghinet, Alina

supporting information, p. 147 - 152 (2013/02/23)

A new family of microtubule-targeting agents with a phenothiazine A-ring was synthesized and evaluated for anti-proliferative activity and interaction with tubulin. These new derivatives showed significant activities against cellular proliferation and tub

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