108485-07-0

Basic information

• Product Name: 3-BROMO-2-METHYLBENZHYDRAZIDE
• Synonyms: 3-BROMO-2-METHYLBENZHYDRAZIDE
• CAS NO: 108485-07-0
• Molecular Formula: C₈H₉BrN₂O
• Molecular Weight: 229.07
• Mol File: 108485-07-0.mol

Chemical Properties

• Melting Point: 157-158 °C(Solv: ethanol (64-17-5))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.533g/cm³
• Refractive Index: 1.602
• PKA: 11.97±0.10(Predicted)
• CAS DataBase Reference: 3-BROMO-2-METHYLBENZHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-2-METHYLBENZHYDRAZIDE(108485-07-0)
• EPA Substance Registry System: 3-BROMO-2-METHYLBENZHYDRAZIDE(108485-07-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 108485-07-0(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-Bromo-2-Methylbenzhydrazide is utilized as a key intermediate in the synthesis of various organic compounds. Its unique structure and reactivity make it a valuable building block for the development of new molecules with potential applications in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 3-Bromo-2-Methylbenzhydrazide is employed as a starting material for the synthesis of various drug candidates. Its chemical properties allow for the creation of new compounds with potential therapeutic effects, contributing to the advancement of medicine.
Used in Chemical Research:
3-Bromo-2-Methylbenzhydrazide is also used in academic and industrial research settings as a model compound for studying chemical reactions and mechanisms. Its reactivity under certain conditions provides valuable insights into the behavior of similar compounds, furthering our understanding of organic chemistry.

InChI:InChI=1/C8H9BrN2O/c1-5-6(8(12)11-10)3-2-4-7(5)9/h2-4H,10H2,1H3,(H,11,12)

Upstream product

• 99548-54-6 methyl 3-bromo-2-methylbenzoate 
• 76006-33-2 3-bromo-2-methylbenzoic acid 
• 98434-43-6 3,7-Dibrom-2-methyl-tropon 

Downstream Products

• 1373938-48-7 2,6-difluoro-N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide 
• 1373938-49-8 2-chloro-6-fluoro-N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide 

Relevant articles and documents

Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro- N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide. Structure-Activity Relationship and Preclinical Characterization

The role of calcium release-activated calcium (CRAC) channels is well characterized and is of particular importance in T-cell function. CRAC channels are involved in the pathogenesis of several autoimmune diseases, making it an attractive therapeutic target for treating inflammatory diseases, like rheumatoid arthritis (RA). A systematic structure-activity relationship study with the goal of optimizing lipophilicity successfully yielded two lead compounds, 36 and 37. Both compounds showed decent potency and selectivity and a remarkable pharmacokinetic profile. Further characterization in in vivo RA models and subsequent histopathological evaluation of tissues led to the identification of 36 as a clinical candidate. Compound 36 displayed an excellent safety profile and had a sufficient safety margin to qualify it for use in human testing. Oral administration of 36 in Phase 1 clinical study in healthy volunteers established favorable safety, tolerability, and good target engagement as measured by levels of IL-2 and TNF-α.

Five-membered heterocycle substituted biphenyl compound and preparation method and application thereof

The invention discloses an immune checkpoint inhibitor five-membered heterocycle substituted biphenyl compound capable of blocking a PD-1/PD-L1 signal pathway and a preparation method and application thereof. The compound is shown in the formula I as described in the specification. The compound is novel in structure and can be orally taken, the defects of treatment and drug resistance of a monoclonal antibody immune checkpoint inhibitor are overcome, and as a small-molecule inhibitor, the preparation is simple, and industrial production is convenient; various related tumor diseases can be treated through tumor immunotherapy by regulating and controlling a PD-1/PD-L1 signal pathway, and potential patent medicine prospects are achieved.