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N-(1,1-Dimethylethyl)-4-nitrobenzenamine, also known as 4-nitro-N-(1,1-dimethylethyl)aniline or 4-nitro-N-tert-butylaniline, is an organic compound with the chemical formula C10H14N2O2. It is a derivative of aniline, featuring a nitro group at the para position and a tert-butyl group at the amino nitrogen. N-(1,1-Dimethylethyl)-4-nitrobenzenamine is a yellow crystalline solid with a melting point of approximately 70°C. It is used as an intermediate in the synthesis of various chemicals, including dyes, pharmaceuticals, and agrochemicals. Due to its reactivity and potential health hazards, it is important to handle N-(1,1-Dimethylethyl)-4-nitrobenzenamine with care, following proper safety protocols.

4138-38-9

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4138-38-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4138-38-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,1,3 and 8 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4138-38:
(6*4)+(5*1)+(4*3)+(3*8)+(2*3)+(1*8)=79
79 % 10 = 9
So 4138-38-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H14N2O2/c1-10(2,3)11-8-4-6-9(7-5-8)12(13)14/h4-7,11H,1-3H3

4138-38-9SDS

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 N-tert-butyl-4-nitroaniline

1.2 Other means of identification

Product number -
Other names N-tert-butyl-4-nitro-aniline

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:4138-38-9 SDS

4138-38-9Relevant academic research and scientific papers

FERROPTOSIS INHIBITORS–DIARYLAMINE PARA-ACETAMIDES

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Paragraph 0442-0443, (2021/09/11)

Provided are compounds that inhibit ferroptosis activity, or modulate or inhibit a disease associated with ferroptosis dysregulation, such as neuropathy, ischemia reperfusion injury, acute kidney failure and cancer, including corresponding sulfonamides, and pharmaceutically acceptable salts, hydrates and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases

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Paragraph 1648, (2015/09/22)

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

Copper-catalyzed N- tert -butylation of aromatic amines under mild conditions using tert -butyl 2,2,2-trichloroacetimidate

Cran, John W.,Vidhani, Dinesh V.,Krafft, Marie E.

, p. 1550 - 1554 (2014/07/08)

A variety of aromatic amines have been found to expediently undergo copper-catalyzed N-tert-butylation in the presence of tert-butyl 2,2,2-trichloroactimidate at room temperature. Georg Thieme Verlag Stuttgart New York.

Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice

Gujjar, Ramesh,El Mazouni, Farah,White, Karen L.,White, John,Creason, Sharon,Shackleford, David M.,Deng, Xiaoyi,Charman, William N.,Bathurst, Ian,Burrows, Jeremy,Floyd, David M.,Matthews, David,Buckner, Frederick S.,Charman, Susan A.,Phillips, Margaret A.,Rathod, Pradipsinh K.

experimental part, p. 3935 - 3949 (2011/07/31)

Malaria is one of the leading causes of severe infectious disease worldwide; yet, our ability to maintain effective therapy to combat the illness is continually challenged by the emergence of drug resistance.We previously reported identification of a new class of triazolopyrimidine-based Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors with antimalarial activity, leading to the discovery of a new lead series and novel target for drug development. Active compounds from the series contained a triazolopyrimidine ring attached to an aromatic group through a bridging nitrogen atom. Herein, we describe systematic efforts to optimize the aromatic functionality with the goal of improving potency and in vivo properties of compounds from the series. These studies led to the identification of two new substituted aniline moieties (4-SF5-Ph and 3,5-Di-F-4- CF 3-Ph), which, when coupled to the triazolopyrimidine ring, showed good plasma exposure and better efficacy in the Plasmodium berghei mouse model of the disease than previously reported compounds from the series.

COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

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, (2012/04/23)

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

Modulators of ATP-binding cassette transporters

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Page/Page column 114, (2008/06/13)

Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

Nucleophilic aromatic substitution of hydrogen in the reaction of tert- alkylamines with nitrosobenzenes - Synthesis and NMR study of N-(tert-alkyl)- ortho-nitrosoanilines

Lipilin, Dmitriy L.,Churakov, Aleksandr M.,Ioffe, Sema L.,Strelenko, Yuri A.,Tartakovsky, Vladimir A.

, p. 29 - 35 (2007/10/03)

The reaction of primary amines bearing tertiary alkyl groups (e.g. R- NH2; R = tBu, 1-adamantyl) with nitrosobenzenes has been found to proceed by oxidative nucleophilic aromatic substitution of hydrogen, thereby affording N-(tert-alkyl)ortho- and -para-nitrosoanilines. The replacement of hydrogen proceeds more rapidly than the replacement of ortho- or para-nitro or -bromo substituents. With p-nitronitrosobenzene, both ortho-hydrogen atoms are substituted to afford N,N'-di(tert-alkyl)-4-nitro-2-nitroso-1,3- phenylenediamines 8a,b. The addition of oxidizing agents (e.g. MnO2) increases the yield of products. 1H-, 13C-, 14N- and 15N-NMR studies have confirmed the structures of the compounds under investigation. In ortho- nitrosoanilines, the rotamer with the nitroso group syn to the amino group is favored.

High-affinity inhibitors of dihydrofolate reductase: Antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size

Kuyper, Lee F.,Baccanari, David P.,Jones, Michael L.,Hunter, Robert N.,Tansik, Robert L.,Joyner, Suzanne S.,Boytos, Christine M.,Rudolph, Sharon K.,Knick, Vince,Wilson, H. Robert,Caddell, J. Marc,Friedman, Henry S.,Comley, John C. W.,Stables, Jeremy N.

, p. 892 - 903 (2007/10/03)

A series of 7,8-dialkylpyrrolo[3,2-f]quinazolines were prepared as inhibitors of dihydrofolate reductase (DHFR). On the basis of an apparent inverse relationship between compound size and antifungal activity, the compounds were designed to be relatively small and compact. Inhibitor design was aided by a GRID analysis of the three-dimensional structure of Candida albicans DHFR, which suggested that relatively small, branched alkyl groups at the 7- and 8-positions of the pyrroloquinazoline ring system would provide optimal interactions with a hydrophobic region of the protein. The compounds were potent inhibitors of fungal and human DHFR, with K(i) values as low as 7.1 and 0.1 pM, respectively, and were highly active against C. albicans and an array of tumor cell lines. In contrast to known lipophilic inhibitors of DHFR such as trimetrexate and piritrexim, members of this series of pyrroloquinazolines were not susceptible to P-glycoprotein-mediated multidrug resistance and also showed significant distribution into lung and brain tissue. The compounds were active in lung and brain tumor models and displayed in vivo activity against Pneumocystis carinii and C. albicans.

Heterocyclic compounds

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, (2008/06/13)

Compounds of the formula (II): or acid addition salts thereof, wherein R1 is hydrogen, C1 6 alkyl or C1 4 alkyl substituted by halo or C1 4 alkoxy, R2 is C1 4 alkyl or

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