cas 36082-50-5, 5-Bromo-2,4-dichloropyrimidine

Articles about 36082-50-5Total 17 be found

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The discovery of a potent and selective pyrazolo-[2,3-e]-[1,2,4]-triazine cannabinoid type 2 receptor agonist
The development of selective CB2 receptor agonists is a promising therapeutic approach for the treatment of inflammatory diseases, without CB1 receptor mediated psychoactive side effects. Preliminary structure-activity relationship studies on pyrazoylidene benzamide agonists revealed the -ylidene benzamide moiety was crucial for functional activity at the CB2 receptor. A small library of compounds with varying linkage moieties between the pyrazole and substituted phenyl group has culminated in the discovery of a potent and selective pyrazolo-[2,3-e]-[1,2,4]-triazine agonist 19 (CB2R EC50 = 19 nM, CB1R EC50 > 10 μM). Docking studies have revealed key structural features of the linkage group that are important for potent functional activity.
Moir, Michael,Lane, Samuel,Montgomery, Andrew P.,Hibbs, David,Connor, Mark,Kassiou, Michael
(2020/12/21)

Efficient Phosphorus-Free Chlorination of Hydroxy Aza-Arenes and Their Application in One-Pot Pharmaceutical Synthesis
The chlorination of hydroxy aza-arenes with bis(trichloromethyl) carbonate (BTC) and SOCl2 has been effectively performed by refluxing with 5 wt % 4-dimethylaminopyridine (DMAP) as a catalyst. Various substrates are chlorinated with high yields. The obtained chlorinated aza-arenes can be used directly with simple workup for succedent one-pot synthesis on a large scale.
Wang, Jian,Li, Yan-Hui,Pan, Song-Cheng,Li, Ming-Fang,Du, Wenting,Yin, Hong,Li, Jing-Hua
supporting information
p. 146 - 153
(2020/03/10)

Preparation method of chloro-substituted polyhydroxy aza-aromatic ring compound (by machine translation)
The invention discloses a preparation method, namely BTC and SOCl, of a chloropolyhydroxyl aza heteroaromatic ring compound as a raw material with a polyhydroxy aza heteroaromatic ring compound as a raw material, and a preparation method thereof. 2 As the double chlorination reagent, a chloropolyhydroxyl aza-aromatic ring compound is produced by chlorination reaction with 4 - dimethylaminopyridine (DMAP) as a catalyst at room temperature to reflux temperature of the reaction, as a catalyst. BTC TC TC TC2 /DMDMAP chlorination system has high efficiency, high selectivity and chlorine substitution on a polyhydroxy nitrogen heterocyclic compound; the system can replace POCl3 , The production of phosphorus-containing wastewater is avoided. Using BTC as a chlorination reagent, the reaction by-product was HCl and CO. 2 . From the aspects of industrial wastewater treatment, environmental protection and the like, the advantages thereof are obvious; SOCl is distilled off after the reaction is ended. 2 The quantity is almost no loss, can be used repeatedly, and reduces the process cost. (by machine translation)
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Paragraph 0019; 0020; 0021-0024

(2019/10/01)

Preparation method for 2,4-dichloropyrimidine and derivatives thereof
The invention discloses a preparation method for 2,4-dichloropyrimidine and derivatives thereof. A catalyst, a compound 1 and phosgene are involved in the preparation method. The compound 1 reacts with the phosgene under the action of the catalyst in a solvent. The preparation method is reasonably designed, is convenient for use and is capable of solving the problems of high discharge of phosphorus wastewater and environmental pollution of the traditional process; the end product prepared according to the method is high in conversion rate, the preparation period is short and the problem of environmental pollution is reduced; the method is energy-saving and environment-friendly and is suitable for extensive promotion.
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Paragraph 0046; 0047

(2019/04/14)

Preparation method for halogenated uracil compounds
The invention discloses a preparation method for halogenated uracil compounds as shown in a formula 2 which is described in the specification. The preparation method comprises a step of subjecting a compound 1 and PCl5 to a chlorination reaction in a solvent. X in the formula is F, Cl, Br or I. The solvent is one or more selected from a group consisting of SOCl2, carbon tetrachloride, 1,2-dichloroethane, 1,1,1-trichloroethane, trichloroethylene and 1,1,2-trichloroethane. The preparation method uses 5-halouracil as a starting material, and is simple in process, high in yield, friendly to environment and suitable for industrial production.
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Paragraph 0039; 0041; 0043; 0044; 0045

(2018/08/04)

Synthesis, characterization, and in vitro evaluation of the selective P2Y2 receptor antagonist AR-C118925
The Gq protein-coupled, ATP- and UTP-activated P2Y2 receptor is a potential drug target for a range of different disorders, including tumor metastasis, inflammation, atherosclerosis, kidney disorders, and osteoporosis, but pharmacological studies are impeded by the limited availability of suitable antagonists. One of the most potent and selective antagonists is the thiouracil derivative AR-C118925. However, this compound was until recently not commercially available and little is known about its properties. We therefore developed an improved procedure for the synthesis of AR-C118925 and two derivatives to allow up-scaling and assessed their potency in calcium mobilization assays on the human and rat P2Y2 receptors recombinantly expressed in 1321N1 astrocytoma cells. The compound was further evaluated for inhibition of P2Y2 receptor-induced β-arrestin translocation. AR-C118925 behaved as a competitive antagonist with pA2 values of 37.2?nM (calcium assay) and 51.3?nM (β-arrestin assay). Selectivity was assessed vs. related receptors including P2X, P2Y, and adenosine receptor subtypes, as well as ectonucleotidases. AR-C118925 showed at least 50-fold selectivity against the other investigated targets, except for the P2X1 and P2X3 receptors which were blocked by AR-C118925 at concentrations of about 1?μM. AR-C118925 is soluble in buffer at pH 7.4 (124?μM) and was found to be metabolically highly stable in human and mouse liver microsomes. In Caco2 cell experiments, the compound displayed moderate permeability indicating that it may show limited peroral bioavailability. AR-C118925 appears to be a useful pharmacological tool for in vitro and in vivo studies.
Rafehi, Muhammad,Burbiel, Joachim C.,Attah, Isaac Y.,Abdelrahman, Aliaa,Müller, Christa E.
p. 89 - 103
(2017/03/11)

Symmetric pyrimidyl iodonium salt and preparation method thereof
The invention relates to symmetric pyrimidyl iodonium salt and a preparation method thereof. The structural formula of the symmetric pyrimidyl iodonium salt is shown in the description. The preparation method comprises the steps that alcohol reacts with sodium hydride, then the reaction product drips into the reaction product of 5-bromouracil and phosphorus oxychloride, the reaction product reacts with a butyl lithium reagent after reaction and then reacts with simple substance iodine and organic metal halide respectively to obtain a 5-iodine-2,4-dialkoxyl pyrimidine and a metal pyrimidine derivative; the 5-iodine-2,4-dialkoxyl pyrimidine reacts with a nitrogen-fluorine reagent and TMSX-1 to obtain a 2,4-dialkyl pyrimidyl trivalent iodine intermediate and then reacts with TMSX-2 and the metal pyrimidine derivative, then anionic sodium or potassium salt is added to perform extraction, and the symmetric pyrimidyl iodonium salt is obtained. The oxidation method adopted by the preparation method of the symmetric pyrimidyl iodonium salt is acid-free, efficient and moderate. The symmetric pyrimidyl iodonium salt is used for efficient preparation of PET tracer agent F-5-fluorouracil, and the poor problems of poor selectivity, low productivity, difficult separation and the like are avoided.
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Paragraph 0039; 0040; 0041; 0042; 0043

(2016/10/17)

Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKε kinases
The design, synthesis and structure-activity relationships of a novel series of 2,4-diamino-5-cyclopropyl pyrimidines is described. Starting from BX795, originally reported to be a potent inhibitor of PDK1, we have developed compounds with improved selectivity and drug-like properties. These compounds have been evaluated in a range of cellular and in vivo assays, enabling us to probe the putative role of the TBK1/IKKε pathway in inflammatory diseases.
McIver, Edward G.,Bryans, Justin,Birchall, Kristian,Chugh, Jasveen,Drake, Thomas,Lewis, Stephen J.,Osborne, Joanne,Smiljanic-Hurley, Ela,Tsang, William,Kamal, Ahmad,Levy, Alison,Newman, Michelle,Taylor, Debra,Arthur, J. Simon C.,Clark, Kristopher,Cohen, Philip
p. 7169 - 7173,5
(2012/12/12)

Large-scale solvent-free chlorination of hydroxy-pyrimidines,-pyridines,- pyrazines and-amides using equimolar POCl3
Chlorination with equimolar POCl3 can be efficiently achieved not only for hydroxypyrimidines, but also for many other substrates such as 2-hydroxy-pyridines,-quinoxalines, or even-amides. The procedure is solvent-free and involves heating in a sealed reactor at high temperatures using one equivalent of pyridine as base. It is suitable for large scale (multigram) batch preparations.
Wang, Han,Wen, Kun,Wang, Le,Xiang, Ye,Xu, Xiaocheng,Shen, Yongjia,Sun, Zhihua
experimental part
p. 4533 - 4544
(2012/06/30)

Synthesis and coordination chemistry of pyrimidine-substituted phosphine ligands
Reaction of PPh2H with UrI (Ur = uracil) in the presence of Pd(OAc)2 affords PPh2Ur. In the solid state, PPh 2Ur crystallises as a methanol solvate in the monoclinic space group P21/c. Reaction of PPh2Ur with CuI in dry and deoxygenated THF solution results in the formation of [Cu4(μ3-I) 4(PPh2Ur)4]. A single crystal X-ray diffraction study demonstrated that this species contains a distorted tetrahedral core of copper atoms, with facially-capping iodides. The uracil groups in the clusters are engaged in hydrogen bonding to groups on neighbouring molecules to form an extended array. A similar reaction between PPh2Ur and CuI in unpurified THF allows for the isolation of the phosphine oxide P(O)PPh 2Ur. The synthesis of the benzyl-protected phosphine PPh 2UrP is also described [UrP = 2,4-bis(benzyloxy)pyrimidine]. Reaction of PPh2UrP with [Ru(η5-C5H5)(NCMe)3]PF 6 allows for isolation of [Ru(η5-C5H 5)(NCMe)(PPh2UrP)2]PF6.
Nixon, Tracy D.,Gamble, Aimee J.,Thatcher, Robert J.,Whitwood, Adrian C.,Lynam, Jason M.
scheme or table
p. 252 - 260
(2012/04/10)

Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV
The discovery of two classes of heterocyclic dipeptidyl peptidase IV (DPP-4) inhibitors, pyrimidinones and pyrimidinediones, is described. After a single oral dose, these potent, selective, and noncovalent inhibitors provide sustained reduction of plasma DPP-4 activity and lowering of blood glucose in animal models of diabetes. Compounds 13a, 27b, and 27j were selected for development.
Zhang, Zhiyuan,Wallace, Michael B.,Feng, Jun,Stafford, Jeffrey A.,Skene, Robert J.,Shi, Lihong,Lee, Bumsup,Aertgeerts, Kathleen,Jennings, Andy,Xu, Rongda,Kassel, Daniel B.,Kaldor, Stephen W.,Navre, Marc,Webb, David R.,Gwaltney, Stephen L.
scheme or table
p. 510 - 524
(2011/03/20)

Metallation of 2,4-dialkoxy-5-bromopyrimidine and formylation with dimethylformamide: Isolation of 2,6-dialkoxy-5-dimethylaminopyrimidine-4- carboxaldehyde
Direct metallation of 2,4-dialkoxy-5-bromopyrimidine with lithium diisopropylamide and consequent trapping by dimethylformamide resulted unexpectedly in the formation of 2,6-dialkoxy-5-dimethylaminopyrimidine-4- carboxaldehyde via displacement of bromine by dimethylamine moiety of dimethylformamide. Copyright
Mukherjee, Soumita,Ghorai, Binay K.
experimental part
p. 1939 - 1943
(2010/09/05)

PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS
The present invention relates to compounds useful as inhibitors of voltage-gated ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.
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Page 138

(2010/02/10)

CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS
This invention relates to pyrimidine derivatives of general formula (I) as inhibitors of kinases, their production as well as their use as medications for treating various diseases.
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Page 72

(2008/06/13)

Cyclin-dependent kinase 4 inhibitors as a treatment for cancer. Part 2: Identification and optimisation of substituted 2,4-bis anilino pyrimidines
Through chemical modification and X-ray crystallography we identified the 2,4-bis anilino pyrimidines as potent inhibitors of CDK4. Herein, we describe the optimisation of this series.
Breault, Gloria A.,Ellston, Rebecca P. A.,Green, Stephen,James, S. Russell,Jewsbury, Philip J.,Midgley, Catherine J.,Pauptit, Richard A.,Minshull, Claire A.,Tucker, Julie A.,Pease, J. Elizabeth
p. 2961 - 2966
(2007/10/03)

Fluorine-free titanocenes and the use thereof
Fluorine-free titanocene compounds of the formula I or II STR1 in which both R1 radicals are preferably, independently of one another, cyclopentadienyl?, which is unsubstituted or substituted by alkyl,alkoxy or --Si(R2)3, and both R2 radicals are, in particular, alkyl, STR2 Z is --NR10 --, --0-- or --S--, Y is Cl, Br, I, CN, SCN, --O--CO--CH3, --O--CO--phenyl or --O--SO2 --CH3, n is 1 or 2, m is 0 or 1, where the sum of n and m must be 2, R3, R4 and R5 are in particular, independently of one another, hydrogen, Cl, alkyl, cycloalkyl, adamantyl, phenyl, pyrryl or biphenylyl, where these radicals are unsubstituted or substituted by alkyl, Cl, alkylthio, --NR8 R9, phenyl, phenylthio or C1 -C10 alkoxy, or R3, R4 and R5 are alkenyl, alkoxy, cycloalkoxy, phenoxy, benzyloxy, tetrahydrofurfuryloxy, alkylthio, cycloalkylthio, benzylthio or phenylthio, where R3 and R4 are not simultaneously hydrogen, and if Q is a pyrimidyl radical, at least one radical R3 or R4 is alkoxy, cycloalkoxy, phenoxy, benzyloxy, tetrahydrofurfuryloxy or alkenyloxy, and if Z is --NR10 --, R3 and R4 are Cl Br or I, both radicals R6, independently of one another, are alkyl or alkenyl or both radicals R6 together with the nitrogen atom to which they are bonded, form a morpholino radical, R7 is alkyl, cycloalkyl or phenyl, R8 is phenyl or α-tertiary C4 -C6 alkyl, R9 is, in particular, hydrogen, alkyl, cycloalkyl, phenyl or a STR3 radical, where, in addition, the two R9 radicals in --N(R9)2 are identical or different and, together with the nitrogen atom to which they are bonded, may form a 5- or 6-membered heterocyclic ring which, in addition to the nitrogen atom, may also contain further nitrogen, oxygen or sulfur atoms, R10 is as defined for R9 or additionally, in particular, is phenyl which is unsubstituted or substituted by Cl, C1 -C12 alkyl, C1 -C10 alkoxy, C1 -C8 alkylthio, phenylthio, morpholino or --N(C1 -C4 alkyl)2, X is --O--, --S--, STR4 methylene or ethylene, and A is C1 -C12 alkylene or --X--A--X-- is a direct bond, are suitable as photoinitiators for photopolymerisation of compounds containing ethylenically unsaturated double bonds.
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(2008/06/13)

2,4,5 Trifluoro pyrimidine and process for preparing
A process for preparing 5-fluorouracil, and a novel starting compound for such process, are disclosed. The novel starting compound is 2,4,5-trifluoropyrimidine. The process comprises hydrolyzing the 2,4,5-trifluoropyrimidine at a temperature of about 2° to about 100° C., thereby directly producing the compound 5-fluorouracil. 5-fluorouracil is a known anti-tumor agent, which has been used in the treatment of various types of cancers. In addition, 5-fluorouracil is a starting material for the production of certain types of pro-drugs, which are metabolized to form 5-fluorouracil in the body, such as, for instance, the compound 1-(2-tetrahydrofuryl)-5-fluorouracil.
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(2008/06/13)

Chemical Properties

Appearance/Colour :light yellow solid or liquid
Melting Point: 29-30 °C(lit.)
Boiling Point: 287.476 °C at 760 mmHg
Flash Point:127.661 °C
Density: 1.965 g/cm³
Solubility:Chloroform (Slightly), Ether (Slightly), Ethyl Acetate (Slightly), Toluene (Slig
Storage Temp.:Keep Cold
Vapor Pressure: 0.004mmHg at 25°C
Refractive Index: n20/D 1.603(lit.)
PKA: -4.26±0.29(Predicted)
BRN: 124441
PSA: 25.78000
LogP: 2.54590

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36082-50-5

Articles about 36082-50-5Total 17 be found

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Chemical Properties

Appearance/Colour :light yellow solid or liquid

Melting Point: 29-30 °C(lit.)

Boiling Point: 287.476 °C at 760 mmHg

Flash Point:127.661 °C

Density: 1.965 g/cm³

Solubility:Chloroform (Slightly), Ether (Slightly), Ethyl Acetate (Slightly), Toluene (Slig

Storage Temp.:Keep Cold

Vapor Pressure: 0.004mmHg at 25°C

Refractive Index: n20/D 1.603(lit.)

PKA: -4.26±0.29(Predicted)

BRN: 124441

PSA: 25.78000

LogP: 2.54590

Global suppliers and manufacturers of 36082-50-5total 173 suppliers on LookChem

Article Database

36082-50-5

Articles about 36082-50-5Total 17 be found

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Chemical Properties

Appearance/Colour :light yellow solid or liquid

Melting Point: 29-30 °C(lit.)

Boiling Point: 287.476 °C at 760 mmHg

Flash Point:127.661 °C

Density: 1.965 g/cm3

Solubility:Chloroform (Slightly), Ether (Slightly), Ethyl Acetate (Slightly), Toluene (Slig

Storage Temp.:Keep Cold

Vapor Pressure: 0.004mmHg at 25°C

Refractive Index: n20/D 1.603(lit.)

PKA: -4.26±0.29(Predicted)

BRN: 124441

PSA: 25.78000

LogP: 2.54590

Global suppliers and manufacturers of 36082-50-5total 173 suppliers on LookChem

Density: 1.965 g/cm³