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BENZYL 4-BROMOBUTANOATE, with the chemical formula C11H13BrO2, is an ester derived from the reaction of an alcohol and a carboxylic acid. It is a colorless to pale yellow liquid characterized by a fruity, sweet odor. This organic compound is known for its applications in various industries, including the production of perfumes, fragrances, and as a flavoring agent in the food and beverage sector. Moreover, it serves as an intermediate in the synthesis of other organic compounds. Due to its potential for skin and eye irritation, it should be handled with caution.

126430-46-4

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126430-46-4 Usage

Uses

Used in Perfume and Fragrance Industry:
BENZYL 4-BROMOBUTANOATE is used as a fragrance ingredient for its pleasant odor, contributing to the creation of various scents in perfumes and other fragranced products.
Used in Food and Beverage Industry:
In the food and beverage industry, BENZYL 4-BROMOBUTANOATE is used as a flavoring agent to enhance the taste and aroma of different food products and beverages.
Used in Organic Synthesis:
BENZYL 4-BROMOBUTANOATE is utilized as an intermediate in the synthesis of other organic compounds, playing a crucial role in the development of new chemical entities for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 126430-46-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,4,3 and 0 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 126430-46:
(8*1)+(7*2)+(6*6)+(5*4)+(4*3)+(3*0)+(2*4)+(1*6)=104
104 % 10 = 4
So 126430-46-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H13BrO2/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

126430-46-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name BENZYL 4-BROMOBUTANOATE

1.2 Other means of identification

Product number -
Other names 4-bromo-n-butyric acid benzyl ester

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:126430-46-4 SDS

126430-46-4Relevant academic research and scientific papers

PANTETHEINE DERIVATIVES AND USES THEREOF

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Paragraph 2121, (2020/06/19)

The present disclosure relates to compounds of Formula (I), (II), or (II'): (I), (II), (II'), and pharmaceutically acceptable salts or solvates thereof. The present disclosure also relates to pharmaceutical compositions comprising the compounds and therapeutic and diagnostic uses of the compounds and pharmaceutical compositions.

Spontaneously Blinking Fluorophores Based on Nucleophilic Addition/Dissociation of Intracellular Glutathione for Live-Cell Super-resolution Imaging

Morozumi, Akihiko,Kamiya, Mako,Uno, Shin-Nosuke,Umezawa, Keitaro,Kojima, Ryosuke,Yoshihara, Toshitada,Tobita, Seiji,Urano, Yasuteru

supporting information, p. 9625 - 9633 (2020/07/25)

Single-molecule localization microscopy (SMLM) allows the reconstruction of super-resolution images but generally requires prior intense laser irradiation and in some cases additives to induce blinking of conventional fluorophores. We previously introduced a spontaneously blinking rhodamine fluorophore based on an intramolecular spirocyclization reaction for live-cell SMLM under physiological conditions. Here, we report a novel principle of spontaneous blinking in living cells, which utilizes reversible ground-state nucleophilic attack of intracellular glutathione (GSH) upon a xanthene fluorophore. Structural optimization afforded two pyronine fluorophores with different colors, both of which exhibit equilibrium (between the fluorescent dissociated form and the nonfluorescent GSH adduct form) and blinking kinetics that enable SMLM of microtubules or mitochondria in living cells. Furthermore, by using spontaneously blinking fluorophores working in the near-infrared (NIR) and green ranges, we succeeded in dual-color live-cell SMLM without the need for optimization of the imaging medium.

Cationic Lipid

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Paragraph 0189-0191, (2020/11/24)

The present invention provides a cationic lipid which is able to be used for nucleic acid delivery to the cytoplasm. A cationic lipid according to the present invention is, for example, a compound represented by formula (1) or a pharmaceutically acceptable salt thereof, wherein L1 and L2 independently represent an alkylene group having 3 to 10 carbon atoms; R1 and R2 independently represent an alkyl group having 4 to 24 carbon atoms or an alkenyl group having 4 to 24 carbon atoms; R3 represents an alkyl group having 1 to 3 carbon atoms; and X1 represents a single bond or CO—O—.

CATIONIC LIPID

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Paragraph 0148; 0149, (2019/05/10)

The present invention provides a cationic lipid which is able to be used for nucleic acid delivery to the cytoplasm. A cationic lipid according to the present invention is, for example, a compound represented by formula (1a) or a pharmaceutically acceptable salt thereof. (In formula (1a), each of L1 and L2 independently represent an alkylene group having 3-10 carbon atoms; each of R1 and R2 independently represent an alkyl group having 4-22 carbon atoms or an alkenyl group having 4-22 carbon atoms; X1 represents a single bond or -CO-O-; and ring P represents one of formulae (P-1) to (P-5).)(In formulae (P-1) to (P-5), R3 represents an alkyl group having 1-3 carbon atoms.)

CRYSTALLINE FORMS OF A THERAPEUTIC COMPOUND AND USES THEREOF

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Paragraph 00140, (2016/06/14)

Disclosed herein are certain crystalline forms of Compound 5, N-(5-((2-(4-(2-oxa-7- azaspiro[3.5]nonan-7-yl)butanamido)imidazo[1,2-0]pyridazin-6-yl)oxy)-2-methylphenyl)-1,3- dimethyl-1 /-/-pyrazole-5-carboxamide, as well as pharmaceutical compositions comprising the crystalline forms. The present disclosure further relates to methods for treating or preventing diseases or disorders using the crystalline forms or pharmaceutical compositions thereof in a subject in need thereof, including diseases or disorders associated with abnormal or pathological angiogenesis and/or aberrant signaling of a growth factor signaling pathway (e.g., vascular endothelial growth factor (VEGF)), such as proliferative diseases and ocular diseases.

Cation-π interactions contribute to substrate recognition in γ-butyrobetaine hydroxylase catalysis

Kamps, Jos J. A. G.,Khan, Amjad,Choi, Hwanho,Lesniak, Robert K.,Brem, Jürgen,Rydzik, Anna M.,McDonough, Michael A.,Schofield, Christopher J.,Claridge, Timothy D. W.,Mecinovic, Jasmin

supporting information, p. 1270 - 1276 (2016/01/25)

γ-Butyrobetaine hydroxylase (BBOX) is a non-heme FeII- and 2-oxoglutarate-dependent oxygenase that catalyzes the stereoselective hydroxylation of an unactivated C-H bond of γ-butyrobetaine (γBB) in the final step of carnitine biosynthesis. BBOX contains an aromatic cage for the recognition of the positively charged trimethylammonium group of the γBB substrate. Enzyme binding and kinetic analyses on substrate analogues with P and As substituting for N in the trimethylammonium group show that the analogues are good BBOX substrates, which follow the efficiency trend N+>P+>As+. The results reveal that an uncharged carbon analogue of γBB is not a BBOX substrate, thus highlighting the importance of the energetically favorable cation-π interactions in productive substrate recognition. What's in the BBOX? Enzyme kinetics and substrate binding studies reveal that γ-butyrobetaine hydroxylase (BBOX)-catalyzed stereoselective hydroxylation of γ-butyrobetaine involves energetically favorable cation-π interactions.

Synthesis and evaluation of phenoxymethylbenzamide analogues as anti-trypanosomal agents

Manos-Turvey, Alexandra,Watson, Emma E.,Sykes, Melissa L.,Jones, Amy J.,Baell, Jonathan B.,Kaiser, Marcel,Avery, Vicky M.,Payne, Richard J.

supporting information, p. 403 - 406 (2015/03/18)

The synthesis and anti-trypanosomal activity of a compound library based on a phenoxymethylbenzamide hit discovered in a high throughput screen is described. Several of the analogues exhibited potent activity against Trypanosoma brucei rhodesiense, a human infective strain of the trypanosome parasite, that serve as lead compounds for further optimisation. This journal is

MRI CONTRAST AGENTS

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Paragraph 0102; 0103; 0104; 0105; 0106, (2013/11/19)

The present invention relates to MRI based imaging. In particular, the present invention provides MRI contrast agents targeted to a HaloTag protein with tunable relaxation properties thereby providing optimal relaxivity for low field strength imaging and the other optimal relaxivity for high field strength imaging. Moreover, the MRI contrast agents are used to detect gene expression (of a gene of interest) in real time in vivo, to detect changes in gene expression (of a gene of interest) over time in, for example, an individual organism, to detect gene expression changes (of a gene of interest) in response to therapeutics, in cell labeling for MR imaging, in clinical diagnostics, and in theranostics.

Reporter protein-targeted probes for magnetic resonance imaging

Strauch, Renee C.,Mastarone, Daniel J.,Sukerkar, Preeti A.,Song, Ying,Ipsaro, Jonathan J.,Meade, Thomas J.

supporting information; experimental part, p. 16346 - 16349 (2011/12/14)

Contrast agents for magnetic resonance imaging are frequently employed as experimental and clinical probes. Drawbacks include low signal sensitivity, fast clearance, and nonspecificity that limit efficacy in experimental imaging. In order to create a bioresponsive MR contrast agent, a series of four Gd(III) complexes targeted to the HaloTag reporter were designed and synthesized. HaloTag is unique among reporter proteins for its specificity, versatility, and the covalent interaction between substrate and protein. In similar systems, these properties produce prolonged in vivo lifetimes and extended imaging opportunities for contrast agents, longer rotational correlation times, and increases in relaxivity (r1) upon binding to the HaloTag protein. In this work we report a new MR contrast probe, 2CHTGd, which forms a covalent bond with its target protein and results in a dramatic increase in sensitivity. A 6-fold increase in r1, from 3.8 to 22 mM-1s-1, is observed upon 2CHTGd binding to the target protein. This probe was designed for use with the HaloTag protein system which allows for a variety of substrates (specific for MRI, florescence, or protein purification applications) to be used with the same reporter.

Tuning the polarity of hierarchically assembled helicates

Baumert, Miriam,Albrecht, Markus,Winkler, Henrik D. F.,Schalley, Christoph A.

experimental part, p. 953 - 958 (2010/06/11)

Catechol ligands bearing ester groups in 3-position (1a,b, 2) are building blocks for the formation of triply lithium-bridged dinuclear helicate-type complexes [Li1a,b,2)i-. Attachment of appropriate functionalities at the ester unit allows the fine tuning of the polarity of the compounds to afford solubility in highly nonpolar as well as highly polar solvents. The investigations show that the internal dinuclear core is stable in a broad variety of solvents, even in water. Georg Thieme Verlag Stuttgart ? New York.

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