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2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione is a nitrobenzyl-substituted isoindole-1,3(2H)-dione derivative, characterized by its yellow crystalline solid form. It is a significant component in organic synthesis and chemical research, known for its potential applications in the pharmaceutical industry and materials science. 2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione's unique structure and reactivity contribute to its value as a building block for synthesizing novel compounds with potential biological activity.

62133-07-7

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62133-07-7 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione is used as a key intermediate in the development of drugs for various therapeutic purposes. Its unique chemical properties allow it to be a crucial component in the synthesis of new pharmaceutical compounds, potentially leading to the creation of innovative treatments for a range of medical conditions.
Used in Chemical Research:
In the realm of chemical research, 2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione serves as a valuable tool for studying the properties and reactions of nitrobenzyl-substituted compounds. Its reactivity and structural characteristics make it an ideal candidate for exploring new chemical pathways and understanding the behavior of related compounds.
Used in Materials Science:
2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione is utilized in the field of materials science for the development of functional materials and polymers. Its potential use in creating advanced materials with specific properties, such as improved stability or reactivity, makes it a promising candidate for various applications, including the development of new materials with enhanced performance characteristics.
Overall, 2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione is a versatile and valuable chemical compound with promising applications in various scientific and industrial fields, including pharmaceutical development, chemical research, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 62133-07-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,2,1,3 and 3 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 62133-07:
(7*6)+(6*2)+(5*1)+(4*3)+(3*3)+(2*0)+(1*7)=87
87 % 10 = 7
So 62133-07-7 is a valid CAS Registry Number.
InChI:InChI=1/C15H10N2O4/c18-14-12-3-1-2-4-13(12)15(19)16(14)9-10-5-7-11(8-6-10)17(20)21/h1-8H,9H2

62133-07-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(4-nitrophenyl)methyl]isoindole-1,3-dione

1.2 Other means of identification

Product number -
Other names 2-(4-Nitrobenzyl)isoindole-1,3-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:62133-07-7 SDS

62133-07-7Relevant academic research and scientific papers

Nickel-Catalyzed Reductive Cross-Coupling of N-Acyl and N-Sulfonyl Benzotriazoles with Diverse Nitro Compounds: Rapid Access to Amides and Sulfonamides

Qu, Erdong,Li, Shangzhang,Bai, Jin,Zheng, Yan,Li, Wanfang

supporting information, p. 58 - 63 (2021/12/27)

Herein we report a Ni-catalyzed reductive transamidation of conveniently available N-acyl benzotriazoles with alkyl, alkenyl, and aryl nitro compounds, which afforded various amides with good yields and a broad substrate scope. The same catalytic reaction conditions were also applicable for N-sulfonyl benzotriazoles, which could undergo smooth reductive coupling with nitroarenes and nitroalkanes to afford the corresponding sulfonamides.

Red-shifted tetra-ortho-halo-azobenzenes for photo-regulated transmembrane anion transport

Bo, Zonghua,Duarte, Fernanda,Kerckhoffs, Aidan,Langton, Matthew J.,Penty, Samuel E.

supporting information, p. 9058 - 9067 (2021/11/04)

Photo-responsive synthetic ion transporters are of interest as tools for studying transmembrane transport processes and have potential applications as targeted therapeutics, due to the possibility of spatiotemporal control and wavelength-dependent function. Here we report the synthesis of novel symmetric and non-symmetric red-shifted tetra-ortho-chloro- and tetra-ortho-fluoro azobenzenes, bearing pendant amine functionality. Functionalisation of the photo-switchable scaffolds with squaramide hydrogen bond donors enabled the preparation of a family of anion receptors, which act as photo-regulated transmembrane chloride transporters in response to green or red light. The subtle effects of chlorine/fluorine substitution,meta/parapositioning of the anion receptors, and the use of more flexible linkers are explored. NMR titration experiments on the structurally diverse photo-switchable receptors reveal cooperative binding of chloride in theZ, but notEisomer, by the two squaramide binding sites. These results are supported by molecular dynamics simulations in explicit solvent and model membranes. We show that this intramolecular anion recognition leads to effective switching of transport activity in lipid bilayer membranes, in which optimalZisomer activity is achieved using a combination of fluorine substitution andpara-methylene spacer units.

Targeting Her2-insYVMA with Covalent Inhibitors - A Focused Compound Screening and Structure-Based Design Approach

Lategahn, Jonas,Hardick, Julia,Grabe, Tobias,Niggenaber, Janina,Jeyakumar, Kirujan,Keul, Marina,Tumbrink, Hannah L.,Becker, Christian,Hodson, Luke,Kirschner, Tonia,Kl?vekorn, Philip,Ketzer, Julia,Baumann, Matthias,Terheyden, Susanne,Unger, Anke,Weisner, J?rn,Müller, Matthias P.,Van Otterlo, Willem A. L.,Bauer, Sebastian,Rauh, Daniel

, p. 11725 - 11755 (2020/11/26)

Mutated or amplified Her2 serves as a driver of non-small cell lung cancer or mediates resistance toward the inhibition of its family member epidermal growth factor receptor with small-molecule inhibitors. To date, small-molecule inhibitors targeting Her2 which can be used in clinical routine are lacking, and therefore, the development of novel inhibitors was undertaken. In this study, the well-established pyrrolopyrimidine scaffold was modified with structural motifs identified from a screening campaign with more than 1600 compounds, which were applied against wild-type Her2 and its mutant variant Her2-A775_G776insYVMA. The resulting inhibitors were designed to covalently target a reactive cysteine in the binding site of Her2 and were further optimized by means of structure-based drug design utilizing a set of obtained complex crystal structures. In addition, the analysis of binding kinetics and absorption, distribution, metabolism, and excretion parameters as well as mass spectrometry experiments and western blot analysis substantiated our approach.

Locking the Dynamic Axial Chirality of Biphenyl Crown Ethers through Threading

Kimura, Tomoya,Miyagawa, Shinobu,Takaya, Hikaru,Naito, Masaya,Tokunaga, Yuji

supporting information, p. 3897 - 3903 (2020/10/28)

This paper describes the syntheses of [2]rotaxanes comprising 23- and 26-membered biphenyl crown ethers as the macrocyclic components and secondary ammonium ions as the dumbbell-shaped components, and the locking of the dynamic axial chirality of the biph

Discovery of phthalimide derivatives as novel inhibitors of a soluble epoxide hydrolase

Mahlooji, Iman,Shokri, Maryam,Manoochehri, Rana,Mahboubi-Rabbani, Mohammad,Rezaee, Elham,Tabatabai, Sayyed Abbas

, (2020/06/05)

Soluble epoxide hydrolase (sEH) inhibitors are effective in reducing blood pressure, inflammation, and pain in a number of mammalian disease models. As most classical urea-based sEH inhibitors suffer from poor solubility and pharmacokinetic properties, the development of novel sEH inhibitors with an improved pharmacokinetic specification has received a great deal of attention. In this study, a series of amide-based sEH inhibitors bearing a phthalimide ring as the novel secondary pharmacophore (P2) was designed, synthesized, and evaluated. Docking results illustrated that the amide group as the primary pharmacophore (P1) was placed at a suitable distance from the three key amino acids (Tyr383, Tyr466, and Asp335) for an effective hydrogen bonding. In agreement with these findings, most of the newly synthesized compounds demonstrated moderate?to?high sEH inhibitory activities, relative to 12-(3-adamantan-1-yl-ureido)dodecanoic acid as the reference standard. Compound 12e with a 4-methoxybenzoyl substituent exhibited the highest sEH inhibitory activity, with an IC50 value of 1.06 nM. Moreover, the ADME properties of the compounds were evaluated in silico, and the results revealed appropriate predictions.

Compound and application thereof in resistance to arenavirus infection

-

Paragraph 0040-0043, (2019/04/04)

The invention provides a compound and application thereof in resistance to arenavirus infection. The structural formula of the compound is as shown in the figure (I) in the specification, wherein Ar is selected from an aromatic ring or aromatic heterocyct

Tri(pentaflurophenyl)borane-catalyzed reduction of cyclic imides with hydrosilanes: Synthesis of pyrrolidines

Ding, Guangni,Wu, Xiaoyu,Lu, Bin,Lu, Wenkui,Zhang, Zhaoguo,Xie, Xiaomin

supporting information, p. 1144 - 1150 (2018/02/17)

B(C6F5)3-catalyzed hydrosilylation of cyclic imides afforded an efficient synthetic method of pyrrolidines. In the presence of 5 mol% B(C6F5)3, various aromatic, aliphatic and polycyclic imides were smoothly reduced by PhSiH3 to generate the corresponding pyrrolidines in high yields. The reaction profiles monitored by 1H NMR spectroscopy disclosed the reduction process of cyclic imides and the effect of difference structure of the hydrosilanes on the hydrosilylation.

Synthetic method for N-substituted imide

-

Paragraph 0016; 0028; 0029; 0030; 0031, (2017/04/20)

The invention provides a synthetic method for N-substituted imide. According to the method, aromatic ketone and amine are used as substrates, air or oxygen is used as an oxygen source, and cyclic imide is produced under liquid phase conditions under the action of a catalyst. The method is mild in conditions, high in oxidation efficiency and high in product yield; and since the method uses air or oxygen as the oxygen source, the method is economic and environment-friendly and has good application prospect.

Novel sulfonamide compound, preparation method, and use of novel sulfonamide compound as protein tyrosine phosphatase 1B inhibitor

-

Paragraph 0018, (2017/12/29)

The invention relates to a novel sulfonamide compound in a structure of a general formula I as shown in the specification, or pharmaceutically acceptable salt and a preparation method of the novel sulfonamide compound, and further relates to a drug composition containing the compound as shown as the general formula I or the pharmaceutically acceptable salt of the compound, and a use of the compound or the pharmaceutically acceptable salt for preparing a drug for preventing and/or treating symptoms or diseases such as hyperglycemia and diabetes mellitus type 2 since the compound as shown as the general formula I or the pharmaceutically acceptable salt of the compound has activity of inhibiting a protein tyrosine phosphatase 1B (PTP 1B).

3. 4 - diphenyl - 4H - 1, 2, 4 - triazole derivative and its preparation method and application (by machine translation)

-

Paragraph 0243; 0244; 0245; 0246, (2017/07/01)

The invention discloses 3, 4 - diphenyl - 4H - 1, 2, 4 - triazole derivative and its preparation method and application. In particular, the invention relates to the formula (I) structure of 3, 4 - diphenyl - 4H - 1, 2, 4 - triazole derivatives, its stereoisomers or its pharmaceutically acceptable salt, formula (I) in the definition of each substituent is as defined in the specification. These structure of novel compound with heat shock protein HSP90 inhibitory activity, can be used for treating cancer, neurodegenerative diseases, inflammatory diseases, autoimmune diseases, ischemic brain injury and the like, it has broad application prospects. (by machine translation)

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