Category: 31938-07-5

In 2014,Yan, Zi-Hong; Wu, Hai-Qiu; Chen, Wen-Xue; Wu, Yan; Piao, Hu-Ri; He, Qiu-Qin; Chen, Fen-Er; De Clercq, Erik; Pannecouque, Christophe published 《Synthesis and biological evaluation of CHX-DAPYs as HIV-1 non-nucleoside reverse transcriptase inhibitors》.Bioorganic & Medicinal Chemistry published the findings.Product Details of 31938-07-5 The information in the text is summarized as follows:

A series of new diarylpyrimidines (DAPYs) characterized by a halogen atom on the methylene linker between wing I and the central pyrimidine ring was synthesized and evaluated for their anti-HIV activity in MT-4 cell cultures. The two most promising compounds 7f and 7g showed excellent activity against wild-type HIV-1 with low nanomolar EC50 values of 0.005 and 0.009μM, resp., which were comparable to or more potent than all the reference drugs zidovudine (AZT), lamivudine (3TC), nevirapine (NEV), efavirenz (EFV), delavirdine (DLV) and etravirine (ETV). In particular, 7g also displayed strong activity against the double mutant strain 103N + 181C with an EC50 value of 8.2μM. The preliminary structure-activity relationship (SAR) and mol. docking anal. of this new series of CHX-DAPYs were also investigated. In the part of experimental materials, we found many familiar compounds, such as 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Product Details of 31938-07-5)

According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Product Details of 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2014,Yan, Zi-Hong; Huang, Xia-Yun; Wu, Hai-Qiu; Chen, Wen-Xue; He, Qiu-Qin; Chen, Fen-Er; De Clercq, Erik; Pannecouque, Christophe published 《Structural modifications of CH(OH)-DAPYs as new HIV-1 non-nucleoside reverse transcriptase inhibitors》.Bioorganic & Medicinal Chemistry published the findings.Product Details of 31938-07-5 The information in the text is summarized as follows:

A series of CR2(OH)-diarylpyrimidine derivatives (CR2(OH)-DAPYs) featuring a hydrophobic group at CH(OH) linker between wing I and the central pyrimidine were synthesized and evaluated for their anti-HIV activity in MT-4 cell cultures. All the target compounds except for compound 3k displayed inhibitory activity against HIV-1 wild-type with EC50 values ranging from 7.21 ± 1.99 to 0.067 ± 0.006μM. Among them, compound 3d showed the most potent anti-HIV-1 activity (EC50 = 0.067 ± 0.006μM, SI > 592), which was approx. 2-fold more potent than the reference drugs nevirapine (NVP) and delavirdine (DLV) in the same assay. In addition, the binding modes with HIV-1 RT and the preliminary SAR studies of these new derivatives were also investigated.2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Product Details of 31938-07-5) was used in this study.

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione or a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands.Product Details of 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2005,Albrecht, Uwe; Goerdes, Dirk; Schmidt, Enrico; Thurow, Kerstin; Lalk, Michael; Langer, Peter published 《Synthesis and structure-activity relationships of 2-alkylidenethiazolidine-4,5-diones as antibiotic agents》.Bioorganic & Medicinal Chemistry published the findings.Computed Properties of C8H6BrN The information in the text is summarized as follows:

2-Alkylidenethiazolidine-4,5-diones were prepared by novel one-pot cyclizations of arylacetonitriles with isothiocyanates and Et 2-chloro-2-oxoacetate. The products show antibiotic activity against the Gram-pos. bacteria Bacillus subtilis and Staphylococcus aureus. The results came from multiple reactions, including the reaction of 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Computed Properties of C8H6BrN)

According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Computed Properties of C8H6BrN

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Rohde, Jason M.; Karavadhi, Surendra; Pragani, Rajan; Liu, Li; Fang, Yuhong; Zhang, Weihe; McIver, Andrew; Zheng, Hongchao; Liu, Qingyang; Davis, Mindy I.; Urban, Daniel J.; Lee, Tobie D.; Cheff, Dorian M.; Hollingshead, Melinda; Henderson, Mark J.; Martinez, Natalia J.; Brimacombe, Kyle R.; Yasgar, Adam; Zhao, Wei; Klumpp-Thomas, Carleen; Michael, Sam; Covey, Joseph; Moore, William J.; Stott, Gordon M.; Li, Zhuyin; Simeonov, Anton; Jadhav, Ajit; Frye, Stephen; Hall, Matthew D.; Shen, Min; Wang, Xiaodong; Patnaik, Samarjit; Boxer, Matthew B. published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Discovery and Optimization of 2H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer》.Computed Properties of C8H6BrN The article contains the following contents:

Neomorphic mutations in isocitrate dehydrogenase 1 (IDH1) are oncogenic for a number of malignancies, primarily low-grade gliomas and acute myeloid leukemia. We report a medicinal chem. campaign around a 7,7-dimethyl-7,8-dihydro-2H-1λ2-quinoline-2,5(6H)-dione screening hit against the R132H and R132C mutant forms of isocitrate dehydrogenase (IDH1). Systematic SAR efforts produced a series of potent pyrid-2-one mIDH1 inhibitors, including the atropisomer (+)-119 (NCATS-SM5637, NSC 791985). In an engineered mIDH1-U87-xenograft mouse model, after a single oral dose of 30 mg/kg, 16 h post dose, between 16 and 48 h, (+)-119(I) showed higher tumoral concentrations that corresponded to lower 2-HG concentrations, when compared with the approved drug AG-120 (ivosidenib). In the experimental materials used by the author, we found 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Computed Properties of C8H6BrN)

According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Computed Properties of C8H6BrN

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhang, Xin-Yang; Lu, Yao; Du, Ye; Wang, Wen-Long; Yang, Lu-Lin; Wu, Qian-Yuan published an article in 2021. The article was titled 《Comprehensive GCxGC-qMS with a mass-to-charge ratio difference extraction method to identify new brominated byproducts during ozonation and their toxicity assessment》, and you may find the article in Journal of Hazardous Materials.Product Details of 31938-07-5 The information in the text is summarized as follows:

Ozonation might increase the risk of wastewater due to byproduct formation, especially in the presence of bromide. In this study, a new anal. method was developed to identify new brominated disinfection byproducts (Br-DBPs) during ozonation, using comprehensive two-dimensional gas chromatog.-single quadrupole mass spectrometry (GCxGC-qMS) connected with an electron capture detector in parallel. The obtained data were analyzed using a mass-to-charge ratio (m/z) difference extraction method. Over 1304 DBPs were detected in an ozonated phenylalanine solution Further screening of 635 DBPs was conducted using the m/z difference extraction method. Finally, the structures for 12 Br-DBPs were confirmed and for 4 Br-DBPs were tentatively proposed by comparison with the NIST library and standard compounds Eight of the confirmed Br-DBPs are first reported and identified: 2-bromostyrene, 1-bromo-1-phenylethylene, 2-bromobenzaldehyde, 3-bromobenzaldehyde, 4-bromobenzaldehyde, 2-bromophenylacetonitrile, 3-bromophenylacetonitrile and 4-bromophenylacetonitrile. These DBPs and 2,4,6-tribromophenol were detected at nanogram- to microgram-per-liter concentrations during ozonation of authentic water samples like algal bloom waters, wastewater treatment plant effluents, and surface water. The toxicities of these compounds were generally higher than that of bromate. The developed anal. method is a powerful technique for analyzing complex compounds and provides a novel way of identifying byproducts in future studies. In the experiment, the researchers used 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Product Details of 31938-07-5)

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione or a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands.Product Details of 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Application In Synthesis of 2-(3-Bromophenyl)acetonitrileIn 2012 ,《Conformational Restriction Approach to β-Secretase (BACE1) Inhibitors: Effect of a Cyclopropane Ring To Induce an Alternative Binding Mode》 was published in Journal of Medicinal Chemistry. The article was written by Yonezawa, Shuji; Yamamoto, Takahiko; Yamakawa, Hidekuni; Muto, Chie; Hosono, Motoko; Hattori, Kazunari; Higashino, Kenichi; Yutsudo, Takashi; Iwamoto, Hideo; Kondo, Yutaka; Sakagami, Masahiro; Togame, Hiroko; Tanaka, Yoshikazu; Nakano, Toru; Takemoto, Hiroshi; Arisawa, Mitsuhiro; Shuto, Satoshi. The article contains the following contents:

Improvement of a drug’s binding activity using the conformational restriction approach with sp3 hybridized carbons is becoming a key strategy in drug discovery. We applied this approach to BACE1 inhibitors and designed four stereoisomeric cyclopropane compounds in which the ethylene linker of a known amidine-type inhibitor I was replaced with chiral cyclopropane rings. The synthesis and biol. evaluation of these compounds revealed that the cis-(1S,2R) isomer II exhibited the most potent BACE1 inhibitory activity among them. X-ray structure anal. of the complex of II and BACE1 revealed that its unique binding mode is due to the apparent CH-π interaction between the rigid cyclopropane ring and the Tyr71 side chain. A derivatization study using II as a lead mol. led to the development of highly potent inhibitors in which the structure-activity relationship as well as the binding mode of the compounds clearly differ from those of known amidine-type inhibitors. After reading the article, we found that the author used 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Application In Synthesis of 2-(3-Bromophenyl)acetonitrile)

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands or 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione.Application In Synthesis of 2-(3-Bromophenyl)acetonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2008,Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Surowy, Carol S.; Honore, Prisca; Marsh, Kennan C.; Hannick, Steven M.; McDonald, Heath A.; Wetter, Jill M.; Sullivan, James P.; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung published 《Identification of (R)-1-(5-tert-Butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a Potent TRPV1 Antagonist for Pain Management》.Journal of Medicinal Chemistry published the findings.Recommanded Product: 31938-07-5 The information in the text is summarized as follows:

Vanilloid receptor TRPV1 is a cation channel that can be activated by a wide range of noxious stimuli, including capsaicin, acid, and heat. Blockade of TRPV1 activation by selective antagonists is under investigation by several pharmaceutical companies in an effort to identify novel agents for pain management. Here the authors report that replacement of substituted benzyl groups by an indan rigid moiety in a previously described N-indazole-N’-benzyl urea series led to a number of TRPV1 antagonists with significantly increased in vitro potency and enhanced drug-like properties. Extensive evaluation of pharmacol., pharmacokinetic, and toxicol. properties of synthesized analogs resulted in identification of (R)-7 (ABT-102). Both the analgesic activity and drug-like properties of (R)-7 support its advancement into clin. pain trials.2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Recommanded Product: 31938-07-5) was used in this study.

According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Recommanded Product: 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2012,Yeh, Vince S. C.; Beno, David W. A.; Brodjian, Sevan; Brune, Michael E.; Cullen, Steven C.; Dayton, Brian D.; Dhaon, Madhup K.; Falls, Hugh D.; Gao, Ju; Grihalde, Nelson; Hajduk, Philip; Hansen, T. Matthew; Judd, Andrew S.; King, Andrew J.; Klix, Russel C.; Larson, Kelly J.; Lau, Yau Y.; Marsh, Kennan C.; Mittelstadt, Scott W.; Plata, Dan; Rozema, Michael J.; Segreti, Jason A.; Stoner, Eric J.; Voorbach, Martin J.; Wang, Xiaojun; Xin, Xili; Zhao, Gang; Collins, Christine A.; Cox, Bryan F.; Reilly, Regina M.; Kym, Philip R.; Souers, Andrew J. published 《Identification and preliminary characterization of a potent, safe, and orally efficacious inhibitor of Acyl-CoA: Diacylglycerol acyltransferase 1》.Journal of Medicinal Chemistry published the findings.SDS of cas: 31938-07-5 The information in the text is summarized as follows:

A high-throughput screen against human DGAT-1 led to the identification of a core structure that was subsequently optimized to afford the potent, selective, and orally bioavailable compound (I). Oral administration at doses ≥0.03 mg/kg significantly reduced postprandial triglycerides in mice following an oral lipid challenge. Further assessment in both acute and chronic safety pharmacol. and toxicol. studies demonstrated a clean profile up to high plasma levels, thus culminating in the nomination of I as clin. candidate ABT-046. In the experiment, the researchers used many compounds, for example, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5SDS of cas: 31938-07-5)

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione or a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands.SDS of cas: 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2010,Feng, Xiao-Qing; Zeng, Zhao-Sen; Liang, Yong-Hong; Chen, Fen-Er; Pannecouque, Christophe; Balzarini, Jan; De Clercq, Erik published 《Synthesis and biological evaluation of 4-(hydroxyimino)arylmethyl diarylpyrimidine analogues as potential non-nucleoside reverse transcriptase inhibitors against HIV》.Bioorganic & Medicinal Chemistry published the findings.Related Products of 31938-07-5 The information in the text is summarized as follows:

A series of novel diarylpyrimidine analogs featuring a hydroxyiminomethyl group between the pyrimidine scaffold and the aryl wing I have been synthesized and tested in MT-4 cells culture as non-nucleoside reverse transcriptase inhibitors against human immunodeficiency virus (HIV). Most of these new congeners exhibited moderate to excellent activity against wild-type virus with an EC50 value ranging from 0.569 μM to 0.005 μM. 4-(4-((Hydroxyimino) (3-methoxyphenyl)methyl)pyrimidin-2-ylamino)benzonitrile (12n) was identified as the most active compound of this new series (EC50 = 0.025 μM, SI >1223) associated with moderate activity against HIV-1 double mutant strains (K103N + Y181C) (EC50 = 8.72 μM) in addition to its anti-HIV-2 activity with an EC50 value of 8.31 μM. Preliminary structure-activity relationship (SAR) among the newly synthesized DAPYs was also investigated. In addition to this study using 2-(3-Bromophenyl)acetonitrile, there are many other studies that have used 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Related Products of 31938-07-5) was used in this study.

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione or a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands.Related Products of 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《Characteristics of the formation and toxicity index of nine newly identified brominated disinfection byproducts during wastewater ozonation》 was written by Zhang, Xin-Yang; Du, Ye; Lu, Yao; Wang, Wen-Long; Wu, Qian-Yuan. Related Products of 31938-07-5This research focused onwastewater ozonation brominated disinfection byproduct toxicity index; Bromide; DBPs; Formation potential; Ozonation; Toxicity index. The article conveys some information:

Ozonation plays an important role in wastewater treatment for reuse. However, the toxicity of wastewater treated with ozone considerably increases with bromide (Br-) concentration >100μg/L. Nine newly identified brominated disinfection byproducts (Br-DBPs) that are highly toxic in ozonated Br–containing wastewater were found in our recent work, including 2-bromostyrene, 1-bromo-1-phenylethylene, 2-bromobenzaldehyde, 3-bromobenzaldehyde, 4-bromobenzaldehyde, 2-bromophenylacetonitrile, 3-bromophenylacetonitrile, 4-bromophenylacetonitrile, and 2,4,6-tribromophenol. In the present study, the formation and calculated toxicity index of the nine newly identified Br-DBPs were evaluated. The correlations between the water quality index and the formation of nine Br-DBPs were also analyzed. With the increase of ozone dosage, the concentrations of bromostyrenes, 3-bromobenzaldehyde, 4-bromobenzaldehyde, 2-bromophenylacetonitrile, and 2,4,6-tribromophenyl in the ozonated samples gradually increased. With the increase of Br- concentration, the concentrations of bromostyrene, 2-bromobenzaldehyde, and 2,4,6-tribromophenol gradually increased. With the increase of NH4+ concentration, the concentrations of bromophenylacetonitriles gradually increased. Among the nine Br-DBPs, the bromophenylacetonitriles and 2,4,6-tribromophenol contributed the most to the cytotoxicity index, 2,4,6-tribromophenol and bromostyrenes contributed the most to the genotoxicity index, and bromophenylacetonitriles and bromostyrenes contributed the most to the oxidative damage index. The dissolved organic carbon levels strongly correlated with the formation of 3-bromophenylacetonitrile and 4-bromophenylacetonitrile, and the fluorescence I-V region intensity integral was correlated with the formation of 4-bromobenzaldehyde and 2,4,6-tribromophenol. The results of the present study clarified the formation potential of the nine widely existing newly identified Br-DBPs, confirmed the high calculated toxicity indexes, and are of great value for future research on Br-DBPs.2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Related Products of 31938-07-5) was used in this study.

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands or 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione.Related Products of 31938-07-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts