188347-48-0

Usage

Uses

Used in Organic Synthesis:
3,5-Dibromobenzyl cyanide is used as a building block in organic synthesis for the preparation of various biologically active compounds and pharmaceutical agents. Its unique structure allows for the creation of a wide range of molecules with potential therapeutic applications.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3,5-Dibromobenzyl cyanide is utilized as an intermediate for the development of new drugs. Its presence in the molecular structure can contribute to the desired pharmacological properties of the final product.
Used in Dye Manufacturing:
3,5-Dibromobenzyl cyanide is also used as an intermediate in the manufacturing of dyes. Its chemical properties make it suitable for the production of a variety of dyes used in different industries.
Used in Chemical Industry:
Within the chemical industry, 3,5-Dibromobenzyl cyanide serves as a precursor for the synthesis of other organic chemicals. Its versatility in chemical reactions makes it a valuable component in the creation of a diverse array of chemical products.
Safety Precautions:
Given that 3,5-Dibromobenzyl cyanide is classified as a hazardous chemical, it is crucial to exercise caution during its handling and storage. Proper safety measures, including the use of personal protective equipment and adherence to safety protocols, should be strictly followed to minimize risks associated with its use.

InChI:InChI=1/C8H5Br2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2

Upstream product

• 56908-88-4 3,5-dibromobenzyl bromide 
• 143-33-9 sodium cyanide 
• 74337-30-7 1,3-dibromo-5-(chloromethyl)benzene 
• 145691-59-4 (3,5-dibromophenyl)methanol 
• 1435-51-4 1,3-dibromo-5-fluorobenzene 
• 6011-14-9 2-aminoacetonitrile hydrochloride 
• 117695-55-3 3,5-dibromophenylboronic acid 
• 773837-37-9 sodium cyanide 

Downstream Products

• 188347-49-1 2-(3,5-dibromophenyl)acetic acid 
• 1206775-12-3 1-(3,5-dibromophenyl)cyclopropanecarbaldehyde 
• 1206776-52-4 1,3-dibromo-5-(1-(difluoromethyl)cyclopropyl)benzene 
• 1541198-45-1 3-bromo-5-(1-(difluoromethyl)cyclopropyl)benzaldehyde 
• 1541198-46-2 C₁₃H₁₄BrF₂NO₂ 
• 1541198-42-8 rac-ethyl 3-amino-3-(3-bromo-5-(1-(difluoromethyl)cyclopropyl)phenyl)propanoate 
• 1541199-48-7 (R)-ethyl 3-amino-3-(3-bromo-5-(1-(difluoromethyl)cyclopropyl)phenyl)propanoate 
• 1541199-47-6 (S)-3-amino-3-(3-bromo-5-(1-(difluoromethyl)cyclopropyl)phenyl)propanoic acid 
• 1541199-46-5 (S)-ethyl 3-amino-3-(3-bromo-5-(1-(difluoromethyl)cyclopropyl)phenyl)propanoate hydrochloride 
• 1541199-49-8 (3S)-ethyl 3-(3-bromo-5-(1-(difluoromethyl)cyclopropyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoate 
• 1541197-44-7 (3S)-3-(3-bromo-5-(1-(difluoromethyl)cyclopropyl)phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid 
• 1629023-89-7 C₃₈H₂₇F₃N₄ 
• 1629600-76-5 C₄₀H₂₉F₃N₄O₂ 
• 1620328-23-5 C₃₈H₂₉F₃N₄ 

Relevant academic research and scientific papers

KINASE INHIBITORS

A DDR1 inhibitor compound can have a structure of Formula A, derivative thereof, prodrug thereof, salt thereof, stereoisomer thereof, tautomer thereof, polymorph thereof, or solvate thereof, or having any chirality at any chiral center, ring A is a ring s

Discovery of selective, orally bioavailable pyrazolopyridine inhibitors of protein kinase cθ (pkcθ) that ameliorate symptoms of experimental autoimmune encephalomyelitis

PKCθ plays an important role in T cell biology and is a validated target for a number of disease states. A series of potent and selective PKCθ inhibitors were designed and synthesized starting from a HTS hit compound. Cell activity, while initially a challenge to achieve, was built into the series by transforming the nitrile unit of the scaffold into a primary amine, the latter predicted to form a new hydrogen bond to Asp508 near the entrance of the ATP binding site of PKCθ. Significant improvements in physiochemical parameters were observed on introduction of an oxetane group proximal to a primary amine leading to compound 22, which demonstrated a reduction of symptoms in a mouse model of multiple sclerosis.

INTEGRIN ANTAGONISTS

The present disclosure provides pharmaceutical agents, including those of the formula:(I) wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Meth

Antibacterial drug leads: DNA and enzyme multitargeting

We report the results of an investigation of the activity of a series of amidine and bisamidine compounds against Staphylococcus aureus and Escherichia coli. The most active compounds bound to an AT-rich DNA dodecamer (CGCGAATTCGCG)2 and using DSC were found to increase the melting transition by up to 24 °C. Several compounds also inhibited undecaprenyl diphosphate synthase (UPPS) with IC50 values of 100-500 nM, and we found good correlations (R2 = 0.89, S. aureus; R2 = 0.79, E. coli) between experimental and predicted cell growth inhibition by using DNA δTm and UPPS IC50 experimental results together with one computed descriptor. We also solved the structures of three bisamidines binding to DNA as well as three UPPS structures. Overall, the results are of general interest in the context of the development of resistance-resistant antibiotics that involve multitargeting.

BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS

Disclosed herein are novel pharmaceutical agents which are useful as integrin receptor antagonists that mediate the pathologic processes of angiogenesis and fibrosis and as such are useful in pharmaceutical compositions and in methods for treating conditions mediated by these integrins by inhibiting or antagonizing these integrins. The novel pharmaceutical agents include those of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Methods and intermediates useful for making the pharmaceutical agents and methods of using the pharmaceutical agents are also provided.

Synthesis of α-aryl esters and nitriles: Deaminative coupling of α-aminoesters and α-aminoacetonitriles with arylboronic acids

Transition-metal-free synthesis of α-aryl esters and nitriles using arylboronic acids with α-aminoesters and α-aminoacetonitriles, respectively, as the starting materials has been developed. The reaction represents a rare case of converting C(sp3)-N bonds into C(sp3)-C(sp2) bonds. The reaction conditions are mild, demonstrate good functional-group tolerance, and can be scaled up. Touch base: A transition-metal-free protocol for the synthesis of α-aryl esters and nitriles by deaminative coupling is presented. Strong bases and transition-metal catalysts are not needed. The new synthetic method uses readily available starting materials and demonstrates wide substrate scope.

Strategies for the modulation of phase II metabolism in a series of PKCε inhibitors

Extensive phase II metabolism of an advanced PKCε inhibitor resulted in sub-optimal pharmacokinetics in rat marked by elevated clearance. Synthesis of the O-glucuronide metabolite as a standard was followed by three distinct strategies to specifically temper phase II metabolic degradation of the parent molecule. In this study, it was determined that the introduction of proximal polarity to the primary alcohol generally curbed O-glucuronidation and improved PK and physical chemical properties while maintaining potency against the target. Utilization of a Jacobsen hydrolytic kinetic resolution to obtain optically enriched final compounds is also discussed.

PYRROLIDINE DERIVATIVES AS TRYPTASE INHIBITORS

Compounds of a certain formula 1 in which M, B1, B2, R2, K1 and K2 have the meanings indicated in the description are novel effective tryptase inhibitors.

Biosynthetic Studies of ω-Cycloheptyl Fatty Acids in Alicyclobacillus cycloheptanicus. Formation of Cycloheptanecarboxylic Acid from Phenylacetic Acid

The formation of the structurally novel, mono-substituted cycloheptane ring in ω-cycloheptyl fatty acids in Alicyclobacillus cycloheptanicus (formerly Bacillus cycloheptanicus) has been examined. Feeding experiments with 13C- and 2H-labeled intermediates demonstrated that cycloheptanecarboxylic acid (3), probably as its CoA thioester, is the starter unit for ω-cycloheptyl fatty acid biosynthesis. Analysis of the resultant labeling pattern from a feeding experiment with [U-13C6]-glucose suggested a shikimate pathway origin of 3 via aromatic amino acids. [1,2-13C2]Phenylacetic acid (6) was efficiently metabolized into the 3-derived moiety in a manner reminiscent of the seven-membered ring Pseudomonas metabolite thiotropocin. The fates of the aromatic and benzylic hydrogens of 6 were determined; these dictated various boundary conditions for the biosynthetic pathway from 6 to 3. Taken together with the results from feeding experiments with postulated cycloheptenylcarboxylate biosynthetic intermediates, the data lead us to propose a pathway which involves an oxidative ring-expansion of 6 to a hydroxynorcaradiene intermediate followed by a series of double bond reductions and dehydrations to the saturated 3.