Category: 86239-00-1

On December 3, 2009, Matsukawa, Tatsuya; Masuzaki, Kazuhiro; Kawasaki, Akiko; Akasaka, Akiko; Kawai, Yosuke published a patent.Computed Properties of 86239-00-1 The title of the patent was Preparation of benzene or thiophene compounds as VAP-1 inhibitors for disease treatment. And the patent contained the following:

The present invention provides a novel benzene derivative or thiophene derivative of general formula I (wherein A1 is a residue derived from benzene or a heterocycle containing at least one nitrogen atom or sulfur atom; A2 is a divalent residue derived from optionally substituted benzene or optionally substituted thiophene; B1 is H, OH, halo, etc.; B2 is H or a functional group containing at least one nitrogen atom; or B1 and B2 together form a cyclic structure; Y is J-L-M; J is a bond, lower alkylene, etc.; L is a bond, O, etc.; M is a bond, lower alkylene, etc.; X is -(CH2)m-, -(CH2)m-O-, etc.; m is 0-6; D is -NR3-; R3 is H, lower alkyl, etc.; and E is optionally substituted amino) useful as a VAP-1 inhibitor, or a medicament for the prophylaxis or treatment of a VAP-1 associated disease and the like. Synthetic procedures for preparing I are exemplified. Example compound II-2HCl, prepared in a multistep synthesis using 4-(5-bromopyridin-2-yl)morpholine as a starting material, had IC50 values of 20.8 and 1.1 nM in radiochem. enzyme assays that measured inhibitory effect on human and rat VAP-1 enzymes, resp. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Computed Properties of 86239-00-1

The Article related to benzene thiophene compound preparation therapeutic vap1 inhibitor, Heterocyclic Compounds (One Hetero Atom): Thiophenes and other aspects.Computed Properties of 86239-00-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On June 19, 1997, Barth, Francis; Casellas, Pierre; Millan, Joseph; Oustric, Didier; Rinaldi, Murielle; Sarran, Martine published a patent.Formula: C10H11FO2 The title of the patent was 3-pyrazolecarboxamide derivatives having cannabinoid receptor affinity. And the patent contained the following:

Pyrazolecarboxamides I [R = amino, cycloalkoxy; R1 = H, (un)substituted alkyl; R2, R3 = (un)substituted Ph; R4, R5 = H, alkyl, CF3] were prepared as CB2 receptor antagonists (no data). Thus, 4-MeC6H4Ac was treated with di-Et oxalate and cyclized with N2H4, followed by alkylation with 3,4-Cl2C6H3CH2Br to give I [R = OH, R1, R4, R5 = H, R2 = 4-MeC6H4, R3 = 3,4-Cl2C6H3] which was amidated with (1S)-2-endo-amino-1,3,3-trimethylbicyclo[2.2.1]heptane (R6NH2), prepared from (1S)-(+)-fenchone, to give I [R = NHR6, R1, R4, R5 = H, R2 = 4-MeC6H4, R3 = 3,4-Cl2C6H3]. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Formula: C10H11FO2

The Article related to pyrazolecarboxamide preparation cannabinoid antagonist, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazoles and other aspects.Formula: C10H11FO2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On June 16, 2011, Bollu, Venkataiah; Boren, Brant Clayton; Dalgard, Jackline; Flatt, Brenton T.; Haq, Nadia; Hudson, Sarah; Mohan, Raju; Morrissey, Michael; Pratt, Benjamin published a patent.Safety of Ethyl 3-fluoro-4-methylbenzoate The title of the patent was Azole compounds as TGR5 agonists and their preparation. And the patent contained the following:

The invention relates to TGR5 agonists of structural formula I, pharmaceutically acceptable salts thereof, compositions thereof, and use of the compounds and compositions for treating diseases. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases. Compounds of formula I wherein X is N and CR4; R1 is Rc; X can be CRc when R1 is (un)substituted phenyl; Rc is (un)substituted Ph, C5-6 cycloalkyl, CH2-Ph, heteroaryl, etc.; R2 is (CR2)p-Y-(CR2)q-Rd; p and q are independently 0 and 1; each R is independently H, C1-3 alkyl, halo, OH and CH2OH; Y is bond, S, SO2, CHOH, O, etc.; Rd is (un)substituted C6-10 aryl, (un)substituted NH-Ph, (un)substituted cycloalkyl, etc.; R5 is C(R8)2-Ph, C(R8)2-naphthalenyl, (un)substituted C(R8)2-heteroaryl; each R8 is independently H, halo and Me; both R8 is taken together to form C3-6 cycloalkyl and 3- to 6-membered heterocycloalkyl; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by amidation of 3-chloro-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-5-fluorobenzoic acid with (2-aminoethyl)trimethylammonium chloride hydrochloride. All the invention compounds were evaluated for their TGR5 agonistic activity. From the assay, it was determined that compound II exhibited EC50 values of < 100 nM. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Safety of Ethyl 3-fluoro-4-methylbenzoate

The Article related to azole preparation tgr5 agonist, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Safety of Ethyl 3-fluoro-4-methylbenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On April 27, 2000, Almansa, Carmen; Gonzalez, Concepcion; Torres, M<Safety of Ethyl 3-fluoro-4-methylbenzoate The title of the patent was Novel imidazoles with anti-inflammatory activity and their preparation and use. And the patent contained the following:

Title compounds I are disclosed [wherein one of X or Y = N; other = C; R1 = H, Me, halo, cyano, NO2, CHO, COCH3 or COOR4; R2 = (un)substituted aryl or heteroaryl; R3 = C1-8 alkyl, C1-8 haloalkyl, or NR4R6; R4 = H, C1-8 alkyl, or (un)substituted aryl(alkyl); R6 = H, C1-8 alkyl, arylalkyl, COR8, or CO2R8; R8 = C1-8 alkyl or C1-8 haloalkyl; aryl = Ph or naphthyl; heteroaryl = pyridyl, pyrazinyl, pyrimidinyl, or pyridazinyl, optionally fused to a benzene ring]. The compounds are useful as selective inhibitors of cyclooxygenase-2 (COX-2), and particularly as antiinflammatories. Claimed uses include treatment of inflammation, pain, fever, prostanoid-induced smooth muscle contraction, dysmenorrhea, premature labor, asthma, bronchitis, cancer (especially gastrointestinal or colon), cerebral infarct, epilepsy, or neurodegenerative diseases such as Alzheimer’s disease or dementia. For instance, 4-(MeSO2)C6H4NH2 was condensed with 4-FC6H4CHO under Dean-Stark conditions, and the resulting imine was cyclized with tosylmethyl isocyanide (75%), followed by imidazole ring chlorination with N-chlorosuccinimide (80%), to give the invention compound II. This compound gave 89% inhibition of COX-2 at 1 μM in vitro, but only 37.8% inhibition of COX-1 at 10 μM. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Safety of Ethyl 3-fluoro-4-methylbenzoate

The Article related to imidazole preparation antiinflammatory cox2 inhibitor, cyclooxygenase 2 inhibitor imidazole preparation, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Safety of Ethyl 3-fluoro-4-methylbenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On August 19, 2010, Bollu, Venkataiah; Boren, Brant Clayton; Dalgard, Jackline Eve; Flatt, Brenton T.; Haq, Nadia; Hudson, Sarah; Mohan, Raju; Morrissey, Michael; Pratt, Benjamin; Wang, Tie-Lin published a patent.Electric Literature of 86239-00-1 The title of the patent was Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity and their preparation. And the patent contained the following:

The present invention comprises TGR5 agonists of structural formula I, as well as N-oxides of them and pharmaceutically acceptable salts thereof. The invention further comprises composition comprising the compounds, N-oxides, and/or pharmaceutically acceptable salts thereof. The invention also comprises use of the compounds and compositions for treating diseases in which TGR5 is a mediator or is implicated. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases in which TGR5 is a mediator or is implicated. Compounds of formula I wherein X is N, CPh, CR4, etc.; R1 is Ph, C5-6 cycloalkyl, CH2phenyl, etc.; R2 is [CR2]pY[CR2]q-R6; p and q are independently 0 and 1; each R is independently H, C1-3 alkyl, halo, OH and CH2OH; Y is a bond, S, SO2, CHOH, O, etc.; R6 is C6-10 aryl, NH-Ph, cycloalkyl, etc.; R2 is R4 is H, C1-3 alkyl, and halo; R5 is CH2phenyl, CH2naphthalenyl, CH2-heteroaryl, etc.; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by S-alkylation of 5-(2-(3,4-dimethoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazole-2(3H)-thine with 2-chloro-4-fluorobenzyl bromide. All the invention compounds were evaluated for their TGR5 agonistic activity (some data given). The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Electric Literature of 86239-00-1

The Article related to imidazole triazole preparation tgr5 agonist treatment diabetes obesity, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Electric Literature of 86239-00-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Dawson, Marcia I.; Chan, Rebecca; Hobbs, Peter D.; Chao, Wanru; Schiff, Leonard J. published an article in 1983, the title of the article was Aromatic retinoic acid analogs. 2. Synthesis and pharmacological activity.Computed Properties of 86239-00-1 And the article contains the following content:

I (R1 = R3 = H; R2 = H, Et) were prepared as potential agents for the treatment of epithelial cancer, psoriasis, and cystic acne. I (R1 = F; R2 = H, Et; R3 = H), I (R1 = H; R2 = H, Et; R3 = F), II (X = O, S), and III were also prepared except for II (X = O), this compounds with reversed keratinization in hamster tracheal organ culture and inhibited the induction of ornithine decarboxylase in mouse epidermis by a tumor promoter. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Computed Properties of 86239-00-1

The Article related to anticancer retinoic acid analog, psoriasis treatment retinoic acid analog, acne treatment retinoic acid analog, Terpenes and Terpenoids: Higher Terpenes and Miscellaneous Terpenoids, Including Carotenoids and Vitamins K and other aspects.Computed Properties of 86239-00-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On June 1, 1984, there was a patent about antitumor agents.COA of Formula: C10H11FO2 The title of the patent was Aromatic retinoids. And the patent contained the following:

Antineoplastic title compds I (R = alkoxy, OH; R1 = H, F; R2 = H, halo, OH, alkyl, alkoxy) were prepared by condensation of phosphonates II with β-ionone in the presence of LiN(CHMe2)2. Thus, 5.1 g II (R = OEt, R1 = F, R2 = H) in THF was added to a mixture of HN(CHMe2)2, hexane, and BuLi at -78° over 5 min, the resulting mixture allowed to react for 15 min, 4.8 g β-ionone in THF added at -78°, and the resulting mixture allowed to react at -78° for 30 min and then at room temperature overnight to give 2.69 g I (R = OEt, R1 = F, R2 = H). I inhibited trachea keratinization in hamsters and ornithine decarboxylase release induced by 12-O-tetradecanoylphorbol 13-acetate. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).COA of Formula: C10H11FO2

The Article related to aromatic retinoid antitumor, Terpenes and Terpenoids: Higher Terpenes and Miscellaneous Terpenoids, Including Carotenoids and Vitamins K and other aspects.COA of Formula: C10H11FO2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On February 12, 1993, Shi, Guo-qiang; Schlosser, Manfred published an article.COA of Formula: C10H11FO2 The title of the article was A novel and versatile access to fluorinated carbo- and heterocyclic compounds employing electron-rich fluorodienes as cycloaddition components. And the article contained the following:

The readily accessible 2-fluoro-1-trimethylsiloxy-1,3-dienes undergo Diels-Alder type cycloaddition with a variety of dienophiles under mild conditions. In this way, fluoro-2-cyclohexenols, fluoro-2,5-dihydropyranols, fluoro-2,5-dihydro-2-pyridinols, fluoropyridines, fluoro-3,6-dihydro-1,2-oxazines and fluoropyrroles can be efficiently prepared The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).COA of Formula: C10H11FO2

The Article related to diels alder fluorotrimethylsiloxybutadiene, butadiene fluorotrimethylsiloxy diels alder, cyclohexenol fluoro, pyranol fluorodihydro, pyridinol fluorodihydro, pyridine fluoro, oxazine fluorodihydro, pyrrole fluoro and other aspects.COA of Formula: C10H11FO2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On October 8, 2009, Matsunaga, Nobuyuki; Nakada, Yoshihisa; Ohba, Yusuke; Nakagawa, Hideyuki published a patent.Quality Control of Ethyl 3-fluoro-4-methylbenzoate The title of the patent was Preparation of pyrazole-containing heterocyclic compound derivatives as soluble guanylyl cyclase (sGC) activators. And the patent contained the following:

The title compounds [I; ring A1 = each (un)substituted aromatic hydrocarbon or 5- or 6-membered aromatic heterocyclic ring; ring B1 = each (un)substituted 5-membered aromatic heterocyclic ring or 5-membered aromatic heterocyclic ring- or 5- or 6-membered carbocyclic ring-fused heterocyclic ring; D1 = each (un)substituted aromatic hydrocarbon or aromatic heterocyclic ring; R1 = CO2H, tetrazolyl, oxooxadiazolyl, C(O)NHS(O)2R11; R11 = acyl, each (un)substituted lower alkyl or aromatic hydrocarbyl or 5- or 6-membered aromatic heterocyclyl; X1 = a bond, (un)substituted lower alkylene; Y1 = a bond, (un)substituted lower alkylene, L1a-E1-L1b; L1a, L1b = a bond, (un)substituted lower alkylene; E1 = O, S, S(O)< S(O)2, C(O), each (un)substituted NH, C(O)NH, NHC(O), S(O)NH, or NHS(O)2; some provisos are applied.] or salts thereof or prodrugs thereof were prepares There is specifically disclosed an soluble guanylyl cyclase (sGC) activator comprising the compound I or a salt thereof as an active ingredient. The compounds I are soluble guanylyl cyclase (sGC) activators and are useful for the prevention or treatment of diseases including hypertension, ischemic heart diseases, heart failure, kidney diseases, arteriosclerotic diseases, atrial fibrillation, pulmonary hypertension, diabetes, diabetic complications, metabolic syndrome, peripheral arterial disease and erectile dysfunction. They have excellent pharmacol. activities, excellent physicochem. properties, and others. Thus, a solution of 2.99 g Et 1-(2-amino-2-thioxoethyl)-1H-pyrazole-4-carboxylate in 30 mL ethanol was treated with 3.74 g 2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone and refluxed for 14 h to give, after workup and silica gel chromatog., 91% Et 1-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)-1H-pyrazole-4-carboxylate (II). II (4.80 g) was treated with 40 mL ethanol, 10 mL THF, and 12.6 mL 2 N aqueous NaOH solution, stirred overnight, concentrated under reduced pressure, treated with water, washed with ether, and acidified with 6 N aqueous HCl solution to give, after workup and recrystallization from EtOAc and hexane, 67% 1-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)-1H-pyrazole-4-carboxylic acid (III). III in vitro promoted >1,000% the production of cGMP from guanosine 6′-triphosphate in the presence of sGC. III at 30 mg/kg in vivo lowered blood pressure by 15.5 mmHg in male SHR mice after 5 h. A capsule formulation containing III was described. The experimental process involved the reaction of Ethyl 3-fluoro-4-methylbenzoate(cas: 86239-00-1).Quality Control of Ethyl 3-fluoro-4-methylbenzoate

The Article related to thiazolylmethylpyrazolecarboxylic acid preparation soluble guanylyl cyclase activator, pyrazole containing heterocyclic preparation soluble guanylyl cyclase sgc activator, hypertension ischemic heart disease treatment pyrazole containing heterocyclic preparation, heart failure kidney disease treatment pyrazole containing heterocyclic preparation and other aspects.Quality Control of Ethyl 3-fluoro-4-methylbenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics