868066-91-5

Basic information

• Product Name: 5-bromo-2-methylisoindolin-1-one
• Synonyms: 5-bromo-2-methylisoindolin-1-one;5-broMo-2-Methyl-2,3-dihydro-1H-isoindol-1-one;5-Bromo-2-methyl-2,3-dihydroisoindol-1-one
• CAS NO: 868066-91-5
• Molecular Formula: C₉H₈BrNO
• Molecular Weight: 226.072
• Mol File: 868066-91-5.mol

Chemical Properties

• Boiling Point: 356.2 °C at 760 mmHg
• Flash Point: 169.2 °C
• Appearance: /
• Density: 1.589
• Vapor Pressure: 2.98E-05mmHg at 25°C
• Refractive Index: 1.619
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -1.60±0.20(Predicted)
• CAS DataBase Reference: 5-bromo-2-methylisoindolin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-bromo-2-methylisoindolin-1-one(868066-91-5)
• EPA Substance Registry System: 5-bromo-2-methylisoindolin-1-one(868066-91-5)

Safety Data

• Hazardous Substances Data: 868066-91-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
5-bromo-2-methylisoindolin-1-one is used as a building block in the development of new drugs, particularly in the field of neuroscience. Its ability to interact with biological systems makes it a promising candidate for the creation of novel therapeutic agents.
Used in Medicinal Chemistry:
As a valuable tool in medicinal chemistry, 5-bromo-2-methylisoindolin-1-one is employed for its unique structure and properties, which contribute to the advancement of drug discovery research and the formulation of potential pharmaceuticals.
Used in Organic Synthesis:
5-bromo-2-methylisoindolin-1-one serves as a key component in organic synthesis, where its chemical properties are leveraged to create a variety of compounds with specific applications in different industries.

InChI:InChI=1/C9H8BrNO/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3

Upstream product

• 888030-79-3 4-bromo-2-(hydroxymethyl)-N-methylbenzamide 
• 99548-55-7 4-bromo-2-methyl-benzoic acid methyl ester 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 78471-43-9 methyl 4-bromo-2-(bromomethyl)benzoate 
• 552330-86-6 5-bromoisoindolin-1-one 
• 74-88-4 methyl iodide 
• 74-89-5 methylamine 
• 124-40-3 dimethyl amine 
• 64169-34-2 5-bromophthalide 
• 888030-82-8 (5-bromo-3H-isobenzofuran-1-ylidene)-isopropyl-amine 

Downstream Products

• 1002309-19-4 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-isoindolin-1-one 
• 1567836-38-7 2,4-difluoro-N-(5-(5-(2-methyl-1-oxoisoindolin-5-yl)thiophen-2-yl)pyridin-3-yl)benzenesulfonamide 
• 1567837-79-9 4-fluoro-N-((5-(5-(2-methyl-1-oxoisoindolin-5-yl)thiophen-2-yl)pyridin-3-yl)carbamothioyl)benzamide 
• 1567836-94-5 5-(5-(3-aminophenyl)thiophen-2-yl)-2-methylisoindolin-1-one 
• 1567837-01-7 2,4-difluoro-N-(5-(5-(2-methyl-1-oxoisoindolin-5-yl)thiophen-2-yl)pyridin-3-yl)benzamide 
• 1579996-77-2 (S)-tert-butyl-2-((S)-1-amino-3-(4-(2-methyl-1-oxoisoindolin-5-yl)phenyl)-1-oxopropan-2-yl carbamoyl)piperidine-1-carboxylate 
• 1254319-52-2 (S)-tert-butyl-4-(1-amino-3-(4-(2-methyl-3-oxoisoindolin-5-yl)phenyl)-1-oxopropan-2-yl carbamoyl)tetrahydro-2H-pyran-4-yl carbamate 

Relevant articles and documents

Identification of 2-Aminopyrimidine Derivatives as FLT3 Kinase Inhibitors with High Selectivity over c-KIT

Herein, we report two promising compounds 30 and 36 possessing nanomolar FLT3 inhibitory activities (IC50 = 1.5-7.2 nM), high selectivity over c-KIT (>1000-fold), and excellent anti-AML activity (MV4-11 IC50 = 0.8-3.2 nM). Furthermore, these two compounds efficiently inhibited the growth of multiple mutant BaF3 cells expressing FLT3-ITD, FLT3-D835V/F, FLT3-F691L, FLT3-ITD-F691L, and FLT3-ITD-D835Y. Oral administration of 30 and 36 at 6 mg/kg/d could significantly suppress tumor growth in the MV4-11 cell-inoculated xenograft model, exhibiting tumor growth inhibitory rates of 83.5% and 95.1%, respectively. Importantly, 36 could prolong the mouse survival time in the FLT3-ITD-TKD dual mutation syngeneic mouse model (BaF3-FLT3-ITD-D835Y) at a dose of 6 mg/kg p.o. bid/4W. No clear myelosuppression was observed in the treated group of 36 in the MPO strain of zebrafish, even at 10 μM. In summary, our data demonstrated that 36 may represent a promising candidate for the treatment of FLT3 mutant AML.

ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS

The present disclosure provides pharmaceutical compositions comprising aryl sulfonamide Stat3 small molecule inhibitors and certain pharmaceutically acceptable salts thereof, and methods of their use for treating cancer.

Method of preparing Quinoline-5,8-dione derivatives for TGase 2 inhibitor

I Is -5,8- of the quinoline, dione derivative compound. of Formula I, or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein the compound of Formula, TGase 2 has, inhibitory effects TGase 2, and thus the pharmaceutical composition may be useful for preventing or treating disorders or diseases mediated by TGase 2 or inhibiting. (by machine translation)

N2-carbamylaryl-2-aminopyrimidine derivative and medical application thereof

The invention provides an N2-carbamylaryl-2-aminopyrimidine derivative and a medical application thereof. The N2-carbamylaryl-2-aminopyrimidine derivative provided by the invention comprises an optical isomer of the N2-carbamylaryl-2-aminopyrimidine derivative and pharmaceutically acceptable salt thereof. Pharmacodynamic research shows that the traditional Chinese medicine composition has no toxicor side effect, the compound has an FLT3 inhibitory activity. The proliferation inhibition activity is realized on various leukemia cell strains; a medium inhibition effect is achieved on breast cancer cells; moreover, the polypeptide is effective for multiple mutations of AML, such as internal tandem repeat mutation of a near-membrane structural domain and D835 point mutation of an activated ring in a kinase structural domain, almost has no inhibition effect on c-KIT, can overcome drug resistance brought by clinical point mutation, can reduce toxic and side effects of bone marrow inhibition,and can be applied to preparation of antitumor drugs. The structures of the general formulas Ia and Ib of the N2-carbamylaryl-2-aminopyrimidine derivative are shown in the specification,

Quinoline-5,8-dione derivatives for TGase 2 inhibitor, and the pharmaceutical composition comprising the same

The present invention relates to a quinolin-5,8-dione derivative compound represented by chemical formula I, an optical isomer thereof or a pharmaceutically acceptable salt thereof. The compound represented by chemical formula I of the present invention has a TGase 2 inhibitory effect, and the pharmaceutical composition comprising the same can be usefully used for preventing or treating disorders or diseases mediated by TGase 2 or response to TGase 2 inhibition.COPYRIGHT KIPO 2020

Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2

The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula I, or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof. For Formula I compounds A1, A2

CARBOLINE DERIVATIVE SERVING AS BROMODOMAIN INHIBITOR

Disclosed in the present invention is a carboline derivative serving as an bromodomain inhibitor. The carboline derivative in the present invention can be used as an bromodomain inhibitor, and can provide a method and a pharmaceutical composition for controlling diseases intervened by a bromodomain protein.

COMPOUNDS USEFUL AS CSF1 MODULATORS

This invention relates to novel compounds and to pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as Colony Stimulating Factor 1 Receptor (cFMS) modulators (e.g. cFMS inhibitors). This invention also relates to processes for preparing the compounds, uses of the compounds in treatment and methods of treatment employing the compounds. Specifically, the invention relates to the use of the compounds for the treatment of cancer and autoimmune diseases.

NRF2 REGULATORS

The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.

PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF

Compounds of formula (la) and pharmaceutically acceptable salts, solvates, and hydrates thereof and related methods of modulatin perforin activity on a cell: wherein Ring A is selected from a 6-10 membered aryl, 5-6 membered cycloalkyi, 5-6 membered heteroaryl or 5-6 membered heterocyclyl, wherein the heteroaryl and heterocyclyl rings comprise at least one heteroatom selected from N, O or S; and wherein the aryl, cycloalkyi, heteroaryl or heterocyclyl rings are optionally substituted with 1 to 3 substituents selected from halo, nitro, -C1-Cealkyl, -C1-Ceaminoalkyl, -C1-C6hydroxyalkyl, -haloC1-C6alkyl, -C1- C6alkoxyl, -haloC1-C6alkyl, -CH2OC(O)CrC6alkyl, -C(O)OC1,-C6alkyI, -NHC(O)C1,-C6alkyl, -NHS(O)2C1- C6alkyl, -S(O)2C1-C6alkyl, -S(O)2NH2, and -C(O)NJJ; Ring B is a 6-10 membered arylene or a 5-6 membered heteroarylene comprising at least one heteroatom selected from N, 0 or S; and wherein the aryl or heteroaryl is optionally, substituted with one or more substituents selected from -NJJ, -OJ, halo,C1 -C6alkyl, -haloC1- C6alkyl, -C1-C6alkoxy, -haloC1-C6alkoxyl, and -C(0)NJJ; Ring C is is selected from a 5-10 membered heteroarylene or a 5-10 membered heterocyclene, each comprising at least one heteroatom selected from N, S and O; Ring D is an optionally substituted benzofused 9-11 membered heterocyclyl or optionally substituted ben2ofused 9-11 membered heteroaryl comprising at least one heteroatom selected from N or O; L is a linker selected from branched and unbranched C1-C4 alkylene, -S(0)2-NH-, -C(0)-NH-, -NH-C(0)-NH-, -S(0)2-NH-C(0)-NH-, -S(0)2-NH-C(0) - and -CH=CH-; wherein Rings B and C, and Rings C and D, are connected to each other via a C-C bond at any of the available C atoms on each respective ring; and J in each occurrence is independently selected from H, optionally substituted C1-C6alkyl or optionally substituted haloC1-C6alkyl.