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5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one is a chemical compound with the molecular formula C11H12BrNO. It belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives, characterized by a structure that contains a carboxylic acid (or a derivative thereof) linked to an indole ring. This chemical is a bromo compound, indicating it contains bromine atoms, as well as an indolyl compound which comprises indole rings. It also includes a ketone group, denoted by the "one" suffix in its name, indicating the presence of a carbonyl group where a carbon atom is double-bonded to an oxygen atom.

120902-45-6

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120902-45-6 Usage

Uses

As a less common chemical substance, 5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one does not have any specific or well-documented applications in industry or science. Its exact properties largely depend on its environment and the compounds it interacts with. However, given its chemical structure, it may potentially be used in the following ways:
Used in Chemical Research:
5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one is used as a research compound for studying the properties and reactions of indolyl carboxylic acids and derivatives. Its unique structure allows chemists to explore its reactivity and potential applications in various chemical processes.
Used in Pharmaceutical Development:
Although not well-documented, 5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one may be used as a starting material or intermediate in the synthesis of pharmaceutical compounds. Its indole and bromo moieties could be of interest for the development of new drugs, particularly in the area of cancer therapy or other therapeutic applications.
Used in Material Science:
The unique structure of 5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one may also make it a candidate for use in the development of new materials with specific properties, such as in the field of organic electronics or as a component in advanced materials with tailored characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 120902-45-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,9,0 and 2 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 120902-45:
(8*1)+(7*2)+(6*0)+(5*9)+(4*0)+(3*2)+(2*4)+(1*5)=86
86 % 10 = 6
So 120902-45-6 is a valid CAS Registry Number.

120902-45-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-bromo-3,3-dimethyl-1H-indol-2-one

1.2 Other means of identification

Product number -
Other names 5-bromo-1,3-dihydro-3,3-dimethyl-2H-indole-2-one

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:120902-45-6 SDS

120902-45-6Relevant academic research and scientific papers

Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation - Structure-Based Hit Evaluation and Chemistry Exploration

Xue, Yafeng,Olsson, Thomas,Johansson, Carina A,?ster, Linda,Beisel, Hans-Georg,Rohman, Mattias,Karis, David,B?ckstr?m, Stefan

, p. 497 - 508 (2016)

Soluble epoxide hydrolase (sEH) is involved in the regulation of many biological processes by metabolizing the key bioactive lipid mediator, epoxyeicosatrienoic acids. For the development of sEH inhibitors with improved physicochemical properties, we performed both a fragment screening and a high-throughput screening aiming at an integrated hit evaluation and lead generation. Followed by a joint dose-response analysis to confirm the hits, the identified actives were then effectively triaged by a structure-based hit-classification approach to three prioritized series. Two distinct scaffolds were identified as tractable starting points for potential lead chemistry work. The oxoindoline series bind at the right-hand side of the active-site pocket with hydrogen bonds to the protein. The 2-phenylbenzimidazole-4-sulfonamide series bind at the central channel with significant induced fit, which has not been previously reported. On the basis of the encouraging initial results, we envision that a new lead series with improved properties could be generated if a vector is found that could merge the cyclohexyl functionality of the oxoindoline series with the trifluoromethyl moiety of the 2-phenylbenzimidazole-4-sulfonamide series.

Compound serving as thyroid hormone beta receptor agonist and use thereof

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Paragraph 0271-0272; 0280-0281, (2021/02/10)

The invention relates to a compound serving as a thyroid hormone beta receptor agonist and use thereof, and further relates to a pharmaceutical composition containing the compound. The compound or thepharmaceutical composition can be used for preparing a

N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES

-

Page/Page column 68; 118, (2018/08/20)

The present invention provides e.g. N-{[2-(piperidin-1-yl)phenyl] (phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating e.g. autoimmune diseases, autoimmune-related diseases, inflammatory diseases, metabolic diseases, fibrotic diseases or cholestatic diseases, such as e.g. arthitis and asthma.

BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA

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Page/Page column 52; 53, (2015/03/28)

The present invention encompasses compounds of the formula (I): wherein the variables are defined herein which are suitable for the modulation of RORC and the treatment of diseases related to the modulation of RORC. The present invention also encompasses

Design, synthesis, and SAR of new pyrrole-oxindole progesterone receptor modulators leading to 5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)- 1-methyl-1H-pyrrole-2-carbonitrile (WAY-255348)

Fensome, Andrew,Adams, William R.,Adams, Andrea L.,Berrodin, Tom J.,Cohen, Jeff,Huselton, Christine,Illenberger, Arthur,Kern, Jeffrey C.,Hudak, Valerie A.,Marella, Michael A.,Melenski, Edward G.,McComas, Casey C.,Mugford, Cheryl A.,Slayden, Ov D.,Yudt, Matthew,Zhang, Zhiming,Zhang, Puwen,Zhu, Yuan,Winneker, Richard C.,Wrobel, Jay E.

, p. 1861 - 1873 (2008/12/20)

We have continued to explore the 3,3-dialkyl-5-aryloxindole series of progesterone receptor (PR) modulators looking for new agents to be used in female healthcare: contraception, fibroids, endometriosis, and certain breast cancers. Previously we reported

Thio-oxindole derivatives

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Page column 48, (2010/11/30)

This invention relates to compounds which are agonists of the progesterone receptor which have the general structures: wherein: R1and R2are H, alkyl, substituted alkyl; OH; O(alkyl); O(substituted alkyl); OAc; aryl; substituted aryl; heteroaryl; substituted heteroaryl; alkylaryl; alkylheteroaryl;1-propynyl; or3-propynyl; or R1and R2are joined to form an alkyl, alkenyl or heterocyclic ring; or R1and R2together comprise a double bond to CMe2; C(cycloalkyl), O, or C(cycloether); R3is H, OH, NH2, C1to C6alkyl, substituted C1to C6alkyl, C3to C6alkenyl, alkynyl, substituted alkynyl, or CORA; RAis H, C1to C3alkyl, substituted C1to C3alkyl, C1to C3alkoxy, substituted C1to C3alkoxy, C1to C3aminoalkyl, or substituted C1to C3aminoalkyl; R4is H, halogen, CN, NH2, NO2, C1to C6alkyl, or substituted C1to C6alkyl, C1to C6alkoxy, substituted C1to C6alkoxy, C1to C6aminoalkyl, or substituted C1to C6aminoalkyl; R5is optionally substituted and selected from a benzene ring, a five or six membered heterocyclic ring with 1, 2, or 3 heteroatoms selected from O, S, SO, SO2or NR6; or an indol-4-yl, indol-7-yl or benzo-2-thiophene moiety; Q1is S, NR7, CR8R9; or a pharmaceutically acceptable salt thereof, as well as methods of using these compounds to induce contraception or treat progesterone-related carcinomas and adenocarcinomas.

New progesterone receptor antagonists: 3,3-disubstituted-5-aryloxindoles.

Fensome, Andrew,Bender, Reinhold,Cohen, Jeffrey,Collins, Mark A,Mackner, Valerie A,Miller, Lori L,Ullrich, John W,Winneker, Richard,Wrobel, Jay,Zhang, Puwen,Zhang, Zhiming,Zhu, Yuan

, p. 3487 - 3490 (2007/10/03)

A new series of 3,3-disubstituted-5-aryloxindoles has been synthesized and evaluated for progesterone receptor antagonist (PR) activity in a T47D cell alkaline phosphatase assay and for their ability to bind PR in competition binding studies. In this comm

Indoline derivatives

-

, (2008/06/13)

This invention relates to substituted indoline derivative compounds which are antagonists of the progesterone receptor, their preparation and pharmaceutical utility, particularly including contraception and treatment of benign or malignant neoplastic diseases, having the general structure: wherein R1and R2may be single substituents or fused to form spirocyclic rings.

CYCLIC REGIMENS UTILIZING INDOLINE DERIVATIVES

-

, (2008/06/13)

This invention relates to cyclic combination therapies and regimens utilizing substituted indoline derivative compounds which are antagonists of the progesterone receptor having the general structure: wherein R 1 and R 2 may be single substituents or fused to form spirocyclic rings, in combination with progestins, estrogens, or both. These methods of treatment may be used for contraception or for the treatment and/or prevention of secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis; polycystic ovary syndrome, carcinomas and adenocarcinomas of the endometrium, ovary, breast, colon, prostate, or minimization of side effects or cyclic menstrual bleeding. Additional uses of the invention include stimulation of food intake.

3,3-substituted indoline derivatives

-

, (2008/06/13)

This invention provides compounds of the formula 1: wherein: R1and R2are chosen independently from each other from H, OH; OAc; alkylaryl; alkylheteroaryl; 1-propynyl; 3-propynyl; and optionally substituted alkyl, O(alkyl); aryl; or h

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