Tag: 200-300

Preparation of a conjugated tautomer of 1,14:7,8-Diethenotetrapyrido[2,1-6-de:2′,1′-6′-gh:2”,1”,6”-k1:2”’,1”’,6”’-na][1,3,5,8,10,12,]hexaazacyclotetradecine and its metal derivatives was written by Ogawa, Shojiro;Yamaguchi, Tomonobu;Gotoh, Nobuyuki. And the article was included in Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) in 1974.Electric Literature of C12H7BrN2 This article mentions the following:

The title tetradecine (I) with high thermal stability, was prepared by 2,9-diamino-1,10-phenanthroline thermolysis or condensation with 2,9-dihalo-1,10-phenanthroline. The structure of I was a conjugated system related to porphin and phthalocyanine. The metal complexes II-IV were prepared In the experiment, the researchers used many compounds, for example, 2-Bromo-1,10-phenanthroline (cas: 22426-14-8Electric Literature of C12H7BrN2).

2-Bromo-1,10-phenanthroline (cas: 22426-14-8) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Electric Literature of C12H7BrN2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Palladium catalyzed synthesis of quinazolino[1,4]benzodiazepine alkaloids and analogs was written by Sorra, Kumaraswamy;Mukkanti, K.;Pusuluri, Srinivas. And the article was included in Tetrahedron in 2012.Product Details of 653-92-9 This article mentions the following:

A concise synthesis of enantiopure quinazolino[1,4]benzodiazepine was accomplished by palladium-catalyzed N-arylation of amidines with o-bromobenzoates followed by intra mol. cyclization. The strategy was successfully applied to the total synthesis of pyrrolo quinazolino[1,4]benzodiazepine alkaloids such as circumdatin H, J and other analogs. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Product Details of 653-92-9).

Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Product Details of 653-92-9

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

PLS Analysis of Distance Matrixes To Detect Nonlinear Relationships between Biological Potency and Molecular Properties was written by Martin, Yvonne C.;Lin, C. Thomas;Hetti, Chandanie;DeLazzer, Jerry. And the article was included in Journal of Medicinal Chemistry in 1995.Reference of 6515-58-8 This article mentions the following:

Although the statistical method of partial least squares (PLS) is widely used for the anal. of the relationship between mol. properties and biol. potency, it is recognized that PLS detects only linear relationships. We tested two types of properties: simulated univariate data and electrostatic mol. field as a function of Hammett σ constants In both cases we compared relationships in which the function is linear, asymptotic, or rises to an optimum and then falls. We found that PLS anal. of the matrix of the distances between every pair of compounds detects all three types of relationships with the same quality of cross-validation. The successful application of the method requires that the distance matrixes be constructed such that each contains only information about one property (for example, the electrostatic field around the functional group of interest). Carbo and Hodgkin similarities perform less well than distances. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Reference of 6515-58-8).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Reference of 6515-58-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and biological evaluation of novel T-type calcium channel blockers was written by Choi, Ja Youn;Seo, Han Na;Lee, Min Joo;Park, Seong Jun;Park, Sung Jun;Jeon, Ji Young;Kang, Joo Hi;Pae, Ae Nim;Rhim, Hyewhon;Lee, Jae Yeol. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2007.Recommanded Product: N-(5-Bromopentyl)phthalimide This article mentions the following:

3,4-Dihydroquinazoline analogs, e.g., I, substituted by N-methyl-N-(5-pyrrolidinopentyl)amine at the 2-position were synthesized and their blocking effects were evaluated for T- and N-type calcium channels. I, compared to mibefradil (IC₅₀ = 1.34 ± 0.49 μM), was about 5-fold potent (IC₅₀ = 0.26 ± 0.01 μM) for T-type calcium channel (α_1G) blocking and its selectivity of T/N-type was also improved (7.5 vs. 1.4 of mibefradil). In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Recommanded Product: N-(5-Bromopentyl)phthalimide).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Recommanded Product: N-(5-Bromopentyl)phthalimide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Copper(I)-Catalyzed Enyne Oxidation/Cyclopropanation: Divergent and Enantioselective Synthesis of Cyclopropanes was written by Shen, Wen-Bo;Tang, Xiang-Ting;Zhang, Ting-Ting;Lv, Dong-Can;Zhao, Dan;Su, Tong-Fu;Meng, Lei. And the article was included in Organic Letters in 2021.Safety of 2-Bromo-4-(trifluoromethyl)benzaldehyde This article mentions the following:

An efficient copper(I)-catalyzed enyne R²CCN(R¹)CH₂C(R³)=CHR⁴ (R¹ = Ms, Ts, SO2Ph, Bs; R² = Ph, 3-bromophenyl, thiophen-3-yl, etc.; R³ = H, Me; R⁴ = H, Me, Ph, 4-chlorophenyl, etc.) and 2-(CH₂=CH)-R⁵C₆H₃C(O)CCR⁶ (R⁵ = H, Me, 5-F, etc.; R⁶ = Ph, 4-fluorophenyl, 4-methoxyphenyl) oxidation/cyclopropanation for the modular synthesis of cyclopropane derivatives I, II and III is described, which represents the first non-noble metal-catalyzed enynes oxidation/cyclopropanation by the in situ generated α-oxo copper carbenes. This protocol allows the assembly of valuable cyclopropane-γ-lactams I and II in generally good to excellent yields with excellent diastereoselectivity. More significantly, the enantioselective version of enyne oxidation/cyclopropanation has been disclosed with chiral copper catalysts. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Safety of 2-Bromo-4-(trifluoromethyl)benzaldehyde).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Safety of 2-Bromo-4-(trifluoromethyl)benzaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Electron impact ionization mass spectra of 1,2,4-triazine derivatives with antimicrobial activity was written by Sherif, M. H.;Abd El-Hady, H.. And the article was included in Organic Chemistry: An Indian Journal in 2013.Reference of 108940-96-1 This article mentions the following:

2-(Aminothiocarbonyl)-3-aryl-5-arylidene-1,2,4-triazin-6-ones I (R = Cl, R¹ = R³ = R⁴ = H, R² = Br; R = Cl, R¹ = R³ = Br, R² = MeO, R⁴ = H; R = R¹ = R³ = R⁴ = H, R² = Cl) were prepared via condensation of 4-benzylidene-5-oxazolinones with thiosemicarbazide. The corresponding 1-methyl-3-thioxo-4-aryl-6-arylidenetriazolo[2,1-a][1,2,4]triazin-7-ones II were obtained by refluxing I with Ac₂O. Treatment of I with PhCOCl in AcOH yielded the corresponding 2-[(benzoylamino)thiocarbonyl]-3-aryl-5-arylidene-1,2,4-triazin-6-ones I (R⁴ = PhCO). The electron impact ionization mass spectra of I (R = Cl, R¹ = R³ = Br, R² = MeO, R⁴ = H; R = Cl, R¹ = R³ = H, R² = Br, R⁴ = PhCO; R = Cl, R¹ = R³ = Br, R² = MeO, R⁴ = PhCO) and II (R = Cl, R¹ = R³ = H, R² = Br; R = Cl, R¹ = R³ = Br, R² = MeO), showed a weak mol. ion peak and a base peak of m/z 139 resulting from a cleavage fragmentation, but I (R = Cl, R¹ = R³ = R⁴ = H, R² = Br) exhibited a base peak at m/z 138. Compounds I (R = R¹ = R³ = H, R² = Cl, R⁴ = H or PhCO) gave a characteristic fragmentation pattern with a very stable fragment at m/z 104, while II (R = R¹ = R³ = H, R² = Cl) gave m/z 119. Some of the compounds were screened for antifungal activity. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Reference of 108940-96-1).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Reference of 108940-96-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery of Small-Molecule Sulfonamide Fluorescent Probes for GPR120 was written by Liu, Pan;Ma, Siyue;Yan, Chongzheng;Qin, Xiaojun;Zhao, Pei;Li, Qi;Cui, Yuanyuan;Li, Minyong;Du, Lupei. And the article was included in Analytical Chemistry (Washington, DC, United States) in 2019.Computed Properties of C13H14BrNO2 This article mentions the following:

GPR120 is a novel target for the treatment of metabolic disease and type 2 diabetes. The small-mol. fluorescent probe could help us locate GPR120 visually and guide in-depth study of GPR120. In this study, we synthesized six nonacidic sulfonamide fluorescent probes and tested their optical and biol. properties. Compared to previous probes for GPR120, these probes, with sulfonamide structure, have high selectivity on GPR120. We used these probes to establish a BRET binding assay system to screen agonists and antagonists of GPR120. It is expected that these novel fluorescent probes may become useful tools in studying pharmacol. and physiol. of GPR120. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Computed Properties of C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Computed Properties of C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Design, synthesis and biological evaluation of pyrazol-furan carboxamide analogues as novel Akt kinase inhibitors was written by Zhan, Wenhu;Xu, Lei;Dong, Xiaowu;Dong, Jun;Yi, Xiao;Ma, Xiaodong;Qiu, Ni;Li, Jia;Yang, Bo;Zhou, Yubo;Hu, Yongzhou. And the article was included in European Journal of Medicinal Chemistry in 2016.Recommanded Product: 1196-90-3 This article mentions the following:

A series of novel pyrazolylfuran carboxamides I (24a–d; X = S, R² = R³ = H; R¹, R⁴: a, H, 4-F; b, Cl, 4-F; c, Br, 4-F; d, H, 3,4-Cl₂; 25a–e, X = O, R³ = H, R¹, R², R⁴: a, Cl, H, 4-F; b, Br, H, 4-F; c, Br, H, 3,4-Cl₂; d, Cl, Cl, 4-F; e, Cl, Cl, 3,4-Cl₂; 27a–c, X = NMe, R¹, R², R³, R⁴: a, Br, H, H, 3,4-Cl₂; b, Br, Br, H, 3,4-Cl₂; c, Cl, Cl, Cl, 3,4-Cl₂) and II (26a–c; R¹, R², R⁴: a, H, Br, 3,4-Cl₂; b, Cl, Br, 3,4-Cl₂; c, Br, Br, 3,4-Cl₂) were designed, synthesized and biol. evaluated for their Akt1 inhibitory activities, as well as anti-proliferative efficacies against HCT116 and OVCAR-8 cell lines. Most compounds exhibited moderate to excellent Akt1 inhibitory activities, together with favorable cytotoxicities. Further kinase selectivity assay of the most promising compound 25e illustrated that it was also potent against the structurally related AGC kinases, including Akt2, Akt3, ROCK1 and PKA, but was specific over kinases from other subfamilies. In addition, the Western blot anal. indicated that 25e could significantly suppress the phosphorylation level of Akt substrate GSK3β in PC-3 cell. Moreover, 25e demonstrated a concentration-dependent inhibition of phosphorylation of PRAS40 in LNCaP cell, with IC₅₀ value of 30.4 nM. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3Recommanded Product: 1196-90-3).

Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Recommanded Product: 1196-90-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Nicotinamide Phosphoribosyltransferase Inhibitors, Design, Preparation, and Structure-Activity Relationship was written by Christensen, Mette K.;Erichsen, Kamille D.;Olesen, Uffe H.;Tjoernelund, Jette;Fristrup, Peter;Thougaard, Annemette;Nielsen, Soeren Jensby;Sehested, Maxwell;Jensen, Peter B.;Loza, Einars;Kalvinsh, Ivars;Garten, Antje;Kiess, Wieland;Bjorkling, Fredrik. And the article was included in Journal of Medicinal Chemistry in 2013.Quality Control of N-(5-Bromopentyl)phthalimide This article mentions the following:

Existing pharmacol. inhibitors for nicotinamide phosphoribosyltransferase (NAMPT) are promising therapeutics for treating cancer. By using medicinal and computational chem. methods, the structure-activity relationship for novel classes of NAMPT inhibitors is described, and the compounds are optimized. Compounds are designed inspired by the NAMPT inhibitor APO866 and cyanoguanidine inhibitor scaffolds. In comparison with recently published derivatives, the new analogs exhibit an equally potent antiproliferative activity in vitro and comparable activity in vivo. The best performing compounds from these series showed subnanomolar antiproliferative activity toward a series of cancer cell lines (compound 15: IC₅₀ 0.025 and 0.33 nM, in A2780 (ovarian carcinoma) and MCF-7 (breast), resp.) and potent antitumor in vivo activity in well-tolerated doses in a xenograft model. In an A2780 xenograft mouse model with large tumors (500 mm³), compound 15 reduced the tumor volume to one-fifth of the starting volume at a dose of 3 mg/kg administered i.p., bid, days 1-9. Thus, compounds found in this study compared favorably with compounds already in the clinic and warrant further investigation as promising lead mols. for the inhibition of NAMPT. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Quality Control of N-(5-Bromopentyl)phthalimide).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Quality Control of N-(5-Bromopentyl)phthalimide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Structure-Activity Relationships of the Antimalarial Agent Artemisinin. 7. Direct Modification of (+)-Artemisinin and In Vivo Antimalarial Screening of New, Potential Preclinical Antimalarial Candidates was written by Avery, Mitchell A.;Alvim-Gaston, Maria;Vroman, Jeffrey A.;Wu, Baogen;Ager, Arba;Peters, Wallace;Robinson, Brian L.;Charman, William. And the article was included in Journal of Medicinal Chemistry in 2002.COA of Formula: C10H13BrO This article mentions the following:

On the basis of earlier reported quant. structure-activity relationship studies, a series of 9β-16-(arylalkyl)-10-deoxoartemisinins, e.g. I, were proposed for synthesis. Several of the new compounds were synthesized employing the key synthetic intermediate II. In a second approach, the natural product (+)-artemisinic acid (III) was utilized as an acceptor for conjugate addition, and the resultant homologated acids were subjected to singlet oxygenation and acid treatment to provide artemisinin analogs. Under a new approach, we developed a one step reaction for the interconversion of artemisinin into artemisitene (IV) that did not employ selenium-based reagents and found that 2-arylethyliodides would undergo facile radical-induced conjugate addition to the exomethylene lactone of IV in good yield. The lactone carbonyls were removed sequentially by diisobutylaluminum hydride reduction followed directly by a second reduction (BF₃-etherate/Et₃SiH) to afford the desired corresponding pyrans. Six addnl. halogen-substituted aromatic side chains were installed via IV furnishing the bioassay candidates. The analogs were examined for in vitro antimalarial activity in the W-2 and D-6 clones of Plasmodium falciparum and were addnl. tested in vivo in Plasmodium berghei- and/or Plasmodium yoelii-infected mice. Several of the compounds emerged as highly potent orally active candidates without obvious toxicity. Of these, two were chosen for pharmacokinetic evaluation, V and VI. In the experiment, the researchers used many compounds, for example, 1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3COA of Formula: C10H13BrO).

1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. COA of Formula: C10H13BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary