23138-55-8

Usage

Chemical Properties

clear colorless to slightly yellow liquid

InChI:InChI=1/C7H4BrNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

Upstream product

• 75-44-5 phosgene 
• 591-19-5 m-Bromoaniline 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 72755-05-6 3-bromobenzoyl azide 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 20940-43-6 3-(3-bromophenyl)-1,1-dimethylurea 
• 16655-19-9 N-(3-bromo-phenyl)-N'-(3,4-dichloro-phenyl)-urea 
• 92905-63-0 N-(3-bromo-phenyl)-N'-(3-nitro-phenyl)-urea 
• 28386-35-8 (3-Bromo-phenyl)-carbamic acid 5-chloro-2-(4-chloro-phenoxy)-phenyl ester 
• 28395-75-7 (3-Bromo-phenyl)-carbamic acid 2-(4-bromo-phenoxy)-5-chloro-phenyl ester 
• 28526-96-7 (3-Bromo-phenyl)-carbamic acid 5-chloro-2-(2,4-dichloro-phenoxy)-phenyl ester 
• 28386-63-2 (3-Bromo-phenyl)-carbamic acid 4-bromo-5-chloro-2-(4-chloro-phenoxy)-phenyl ester 
• 28396-14-7 (3-Bromo-phenyl)-carbamic acid 4-bromo-5-chloro-2-(2,4-dichloro-phenoxy)-phenyl ester 
• 38021-38-4 (3-Bromo-phenyl)-carbamic acid 3-methylsulfanylcarbonylamino-phenyl ester 
• 28396-03-4 (3-Bromo-phenyl)-carbamic acid 5-chloro-2-(2,4-dibromo-phenoxy)-phenyl ester 
• 25216-78-8 2-propynyl N-(3-bromophenyl)carbamate 
• 64393-02-8 1-(3-Brom-phenyl)-3-cyclopropyl-harnstoff 
• 86781-61-5 1,1-di-(n-butyl)-3-(3-bromophenyl)urea 
• 86764-82-1 1,1-dibenzyl-3-(3-bromophenyl)urea 

Relevant academic research and scientific papers

Synthesis and biological evaluation of novel 4-(4-formamidophenylamino)-N-methylpicolinamide derivatives as potential antitumor agents

A novel series of 4-(4-formamidophenylamino)-N-methylpicolinamide derivatives were synthesized and evaluated against different tumor cell lines. Experiments in vitro showed that these derivatives could inhibit the proliferation of two kinds of human cancer cell lines (HepG2, HCT116) at low micromolar concentrations and the most potent analog 5q possessed broad-spectrum antiproliferative activity. Experiments in vivo demonstrated that 5q could effectively prolong the longevity of colon carcinoma-burdened mice and slow down the progression of cancer cells by suppression of angiogenesis and the induction of apoptosis and necrosis.

Biphenyl formamide urea compound, and preparation method and application thereof

The invention belongs to the technical field of medicines, particularly relates to the field of treatment of tumor-related diseases, and relates to a biphenyl formamide urea compound, and a preparation method and application thereof. In order to solve the problem that the effect of a ROCK inhibitor in the prior art still needs to be improved, the invention provides the biphenyl formamide urea compound represented by formula (I) shown in the specification. The novel biphenyl formamide urea ROCKI inhibitor is prepared through a dominant fragment heterozygosis design strategy, so that the novel biphenyl formamide urea ROCKI inhibitor can simultaneously extend into target key binding regions (a pocket A and a pocket D) to improve the target affinity with the ROCKI inhibitor; further, the ROCK inhibition effect and the anti-tumor effect are improved.

Synthesis and structure-activity relationship study of pyrrolidine-oxadiazoles as anthelmintics against Haemonchus contortus

Parasitic roundworms (nematodes) are significant pathogens of humans and animals and cause substantive socioeconomic losses due to the diseases that they cause. The control of nematodes in livestock animals relies heavily on the use of anthelmintic drugs. However, their extensive use has led to a widespread problem of drug resistance in these worms. Thus, the discovery and development of novel chemical entities for the treatment of parasitic worms of humans and animals is needed. Herein, we describe our medicinal chemistry optimization efforts of a phenotypic hit against Haemonchus contortus based on a pyrrolidine-oxadiazole scaffold. This led to the identification of compounds with potent inhibitory activities (IC50 = 0.78–22.4 μM) on the motility and development of parasitic stages of H. contortus, and which were found to be highly selective in a mammalian cell counter-screen. These compounds could be used as suitable chemical tools for drug target identification or as lead compounds for further optimization.

Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression

Aurora Kinase B is a serine-threonine kinase known to be overexpressed in several cancers, with no inhibitors approved for clinical use. Herein, we present the discovery and optimization of a series of novel quinazoline-based Aurora Kinase B inhibitors. The lead inhibitor SP-96 shows sub-nanomolar potency in Aurora B enzymatic assays (IC50 = 0.316 ± 0.031 nM). We identified the important pharmacophore features resulting in selectivity against receptor tyrosine kinases. Particularly, SP-96 shows >2000 fold selectivity against FLT3 and KIT which is important for normal hematopoiesis. This could diminish the adverse effect of neutropenia reported in the clinical trials of the Aurora B inhibitor Barasertib, which inhibits FLT3 and KIT in addition to Aurora B. Enzyme kinetics of SP-96 shows non-ATP-competitive inhibition which makes it a first-in-class inhibitor. Further, SP-96 shows selective growth inhibition in NCI60 screening, including inhibition of MDA-MD-468, a Triple Negative Breast Cancer cell line.

Sulfonylurea dehydroabietate compound and preparation method and application thereof

The invention discloses a sulfonylurea dehydroabietate compound and a preparation method and application thereof. The compound has a chemical structural formula represented by a formula shown in the description, wherein R1 is 2-Br, 3-Br, 4-Br, 4-OCH3, 4-F, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl or H, and 2, 3 and 4 represent 2, 3 and 4 substituent sites on a benzene ring. The preparation method of the compound comprises the following steps synthesizing sulfonyl chloride dehydroabietate; synthesizing sulfonamide dehydroabietate; synthesizing substituted phenyl isocyanate; synthesizing N'-substituted phenyl-12-sulfonylurea dehydroabietate. The compound disclosed by the invention has better activity and low toxicity and provides a better lead compound for developing antitumor drugs.

Effective approach to ureas through organocatalyzed one-pot process

An efficient approach to N, N′-unsymmetrically substituted ureas 9 has been developed through the ammonolysis process of N-Boc protected anilines 7 with amines prompted by 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD). Moreover, a convenient protocol for the

Novel thiazole compound XQH-2-92 for resisting streptococcus mutans and application of novel thiazole compound XQH-2-92

The invention discloses a novel thiazole compound XQH-2-92 for resisting streptococcus mutans. The number of the compound is XQH-2-92, the molecular formula of the compound is C16H17BrN6O4S, the molecular weight of the compound is 469.31, and the compound is named N-(3-bromophenyl)-4-(2-((5-nitrothiazole-2-base) amino)-2-oxo ethyl)piperazine-1-formamide. Experiments prove that the compound has good antibacterial activity and sterilizing activity on the streptococcus mutans type strains and clinical strains in a planktonic state. Meanwhile, when the final concentration of the compound XQH-2-92 in a culture medium reaches 4mg/L, the inhibiting rate of the compound on a streptococcus mutans biological membrane reaches more than 99%. The compound has the advantages that the compound is small in molecular weight, relatively simple in structure, capable of evidently inhibiting the formation of streptococcus mutans planktonic cells and biological membranes, capable of being used as the novel lead compound for preventing dental caries and promising in application prospect, antibacterial experiments prove that the compound is high in antibacterial effect and good in sterilizing effect, and the like.

A 10th factor inhibitor and its preparation method and application (by machine translation)

The invention relates to a 10th factor inhibitor and its preparation and application, the 10th factor inhibitor has the structure of formula I, the invention inhibitors to alpha-amino acid as a template, respectively through the amide, carbamate, or urea to the branched chain is formed by a series of novel structure of the compound, this kind of compound can be effectively with the 10th factor binding, prevent the formation of thrombus. (by machine translation)

Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors

A number of 1,2-benzisothiazol-3-one derivatives were prepared through structural modification of the original compound from high-throughput screening. Some analogues (e.g., 6b, 6r, 6s and 6w) were identified as novel and potent caspase inhibitors with IC50 of nanomolar. Structure-activity relationship (SAR) studies for caspase-3 inhibition were evaluated in vitro. Molecular modeling studies provided further insight into the interaction of this class of compounds with activated caspase-3. The present small molecule caspase-3 inhibitor with novel structures different from structures of known caspase inhibitors revealed a new direction for therapeutic strategies directed against diseases involving abnormally up-regulated apoptosis.

Novel leucine ureido derivatives as inhibitors of aminopeptidase N (APN)

Aminopeptidase N (APN/CD13) over expressed on tumor cells, plays a critical role in tumor invasion, metastasis, and tumor angiogenesis. Here we described the design, synthesis and preliminary activity studies of novel leucine ureido derivatives as aminopeptidase N (APN/CD13) inhibitors. The results showed that compound 8c had the most potent inhibitory activity against APN with the IC 50 value to 0.06 ± 0.041 μM, which could be used for further anticancer agent research.