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5-Bromo-8-fluoroisoquinoline, a fluoro-substituted isoquinoline derivative with the molecular formula C9H5BrFN, is a heterocyclic aromatic compound featuring a bromine and a fluorine atom attached to the isoquinoline ring. It is a white to light yellow solid with a melting point of approximately 90-93 °C. This chemical compound serves as a valuable intermediate in organic synthesis and is widely used in the development of various biologically active compounds, particularly in the pharmaceutical and agrochemical industries.

679433-94-4

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679433-94-4 Usage

Uses

Used in Pharmaceutical Industry:
5-Bromo-8-fluoroisoquinoline is used as a building block for the synthesis of pharmaceuticals due to its unique chemical structure and properties. It contributes to the development of new drugs with improved therapeutic effects and reduced side effects. Its presence in the molecular structure of pharmaceuticals can enhance their potency, selectivity, and pharmacokinetic properties.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Bromo-8-fluoroisoquinoline is utilized as a key intermediate in the synthesis of various agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can improve their effectiveness in controlling pests and weeds, leading to increased crop yields and reduced crop damage.
Used in Organic Synthesis:
5-Bromo-8-fluoroisoquinoline is employed as a versatile intermediate in organic synthesis, allowing for the creation of a wide range of chemical compounds with diverse applications. Its unique structure and functional groups enable chemists to perform various chemical reactions, leading to the formation of new compounds with potential applications in various fields, including materials science, catalysis, and medicinal chemistry.
Used in Drug Discovery and Development:
As a heterocyclic aromatic compound, 5-Bromo-8-fluoroisoquinoline plays a crucial role in drug discovery and development. Its unique structure and properties make it an attractive candidate for the design and synthesis of novel drug molecules with potential therapeutic applications. Researchers can use 5-BroMo-8-fluoroisoquinoline as a starting material or a template to develop new drugs with improved pharmacological properties and therapeutic potential.
Used in Medicinal Chemistry Research:
5-Bromo-8-fluoroisoquinoline is a valuable tool in medicinal chemistry research, where it is used to study the structure-activity relationships of various biologically active compounds. By incorporating 5-BroMo-8-fluoroisoquinoline into different molecular frameworks, researchers can gain insights into the factors that contribute to the biological activity of these compounds and optimize their properties for specific therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 679433-94-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,7,9,4,3 and 3 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 679433-94:
(8*6)+(7*7)+(6*9)+(5*4)+(4*3)+(3*3)+(2*9)+(1*4)=214
214 % 10 = 4
So 679433-94-4 is a valid CAS Registry Number.

679433-94-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Bromo-8-fluoroisoquinoline

1.2 Other means of identification

Product number -
Other names QC-7983

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:679433-94-4 SDS

679433-94-4Downstream Products

679433-94-4Relevant academic research and scientific papers

Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration

Bowers, Simeon,Truong, Anh P.,Jeffrey Neitz,Hom, Roy K.,Sealy, Jennifer M.,Probst, Gary D.,Quincy, David,Peterson, Brian,Chan, Wayman,Galemmo Jr., Robert A.,Konradi, Andrei W.,Sham, Hing L.,Tóth, Gergely,Pan, Hu,Lin, May,Yao, Nanhua,Artis, Dean R.,Zhang, Heather,Chen, Linda,Dryer, Mark,Samant, Bhushan,Zmolek, Wes,Wong, Karina,Lorentzen, Colin,Goldbach, Erich,Tonn, George,Quinn, Kevin P.,Sauer, John-Michael,Wright, Sarah,Powell, Kyle,Ruslim, Lany,Ren, Zhao,Bard, Frédérique,Yednock, Ted A.,Griswold-Prenner, Irene

, p. 5521 - 5527 (2011/10/09)

The SAR of a series of brain penetrant, trisubstituted thiophene based JNK inhibitors with improved pharmacokinetic properties is described. These compounds were designed based on information derived from metabolite identification studies which led to compounds such as 42 with lower clearance, greater brain exposure and longer half life compared to earlier analogs.

INHIBITORS OF JUN N-TERMINAL KINASE

-

Page/Page column 169, (2010/08/18)

The present disclosure provides inhibitors of c-Jun N-terminal kinases (JNK) having a structure according to the following formula (I): or a salt or solvate thereof, wherein ring A, Ca, Cb, Z, R5, W and Cy are defined herein. The disclosure further provides pharmaceutical compositions including the compounds of the present disclosure and methods of making and using the compounds and compositions of the present disclosure, e.g., in the treatment and prevention of various disorders, such as Alzheimer's disease.

Synthesis and SAR exploration of dinapsoline analogues

Sit, Sing-Yuen,Xie, Kai,Jacutin-Porte, Swanee,Boy, Kenneth M.,Seanz, James,Taber, Matthew T.,Gulwadi, Amit G.,Korpinen, Carolyn D.,Burris, Kevin D.,Molski, Thaddeus F.,Ryan, Elaine,Xu, Cen,Verdoorn, Todd,Johnson, Graham,Nichols, David E.,Mailman, Richard B.

, p. 715 - 734 (2007/10/03)

Dinapsoline is a full D1 dopamine receptor agonist that produces robust rotational activity in the unilateral 6-OHDA rat model. This compound is orally active, and shows a low tendency to cause tolerance in rat models. The active enantiomer was determined to have the S-(+) configuration, and the opposite enantiomer is essentially devoid of biological activity. Taken together, dinapsoline has significant metabolic and pharmacological advantages over previous D1 agonists. In an attempt to define the structure-activity relationships (SARs) and to map out the key elements surrounding the unique structure of dinapsoline, core analogues and substitution analogues of the parent tetracyclic condensed ring structure were prepared. Based on a recently developed synthesis of dinapsoline and its enantiomers, both core and substitution analogues on all four rings (A, B′, C and D ring) of dinapsoline were synthesized. It was found that affinity for both D1and D2 receptors was decreased by most substituents on the A, B′, and C rings, whereas D ring substitutions preserved much of the dopamine receptor binding activity.

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