Category: 3939-12-6

Recommanded Product: 3939-12-6. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Discovery of isoquinolinone and naphthyridinone-based inhibitors of poly(ADP-ribose) polymerase-1 (PARP1) as anticancer agents: Structure activity relationship and preclinical characterization. Author is Karche, Navnath P.; Bhonde, Mandar; Sinha, Neelima; Jana, Gourhari; Kukreja, Gagan; Kurhade, Sanjay P.; Jagdale, Arun R.; Tilekar, Ajay R.; Hajare, Anil K.; Jadhav, Ganesh R.; Gupta, Nishant R.; Limaye, Rohan; Khedkar, Nilesh; Thube, Baban R.; Shaikh, Javed S.; Rao Irlapati, Nageswara; Phukan, Samiron; Gole, Gopal; Bommakanti, Apparao; Khanwalkar, Harshal; Pawar, Yogesh; Kale, Ramesh; Kumar, Rakesh; Gupta, Rajesh; Praveen Kumar, V. R.; Wahid, Saif; Francis, Albi; Bhat, Tariq; Kamble, Nivrutti; Patil, Vinod; Nigade, Prashant B.; Modi, Dipak; Pawar, Shashikant; Naidu, Sneha; Volam, Harish; Pagdala, Vamsi; Mallurwar, Sadanand; Goyal, Hemant; Bora, Pushpak; Ahirrao, Prajakta; Singh, Minakshi; Kamalakannan, Prabhakaran; Naik, Kumar Ram; Kumar, Pradipta; Powar, Rajendra G.; Shankar, Rajesh B.; Bernstein, Peter R.; Gundu, Jayasagar; Nemmani, Kumar; Narasimham, Lakshmi; George, Kochumalayil Shaji; Sharma, Sharad; Bakhle, Dhananjay; Kamboj, Rajender Kumar; Palle, Venkata P..

The exploitation of GLU988 and LYS903 residues in PARP1 as targets to design isoquinolinone and naphthyridinone analogs is described. Compounds of structure I have good biochem. and cellular potency but suffered from inferior PK. Constraining the linear propylene linker of structure into a cyclopentene ring offered improved PK parameters, while maintaining potency for PARP1. Finally, to avoid potential issues that may arise from the presence of an anilinic moiety, the nitrogen substituent on the isoquinolinone ring was incorporated as part of the bicyclic ring. This afforded a naphthyridinone scaffold, as shown in structure naphthyridinones. Further optimization of naphthyridinone series led to identification of a novel and highly potent PARP1 inhibitor I, which was further characterized as preclin. candidate mol. Compound I is orally bioavailable and displayed favorable pharmacokinetic (PK) properties. Compound I demonstrated remarkable antitumor efficacy both as a single-agent as well as in combination with chemotherapeutic agents in the BRCA1 mutant MDA-MB-436 breast cancer xenograft model. Addnl., compound I also potentiated the effect of agents such as temozolomide in breast cancer, pancreatic cancer and Ewing’s sarcoma models.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Fluorocyano-benzenes and -pyridines》. Authors are Finger, G. C.; Dickerson, D. R.; Adl, Touradj; Hodgins, T..The article about the compound:6-Fluoronicotinonitrilecas:3939-12-6,SMILESS:N#CC1=CC=C(F)N=C1).Safety of 6-Fluoronicotinonitrile. Through the article, more information about this compound (cas:3939-12-6) is conveyed.

Chlorobenzonitriles stirred and heated at 160-200° with anhydrous KF in Me2SO2 (CA 57, 12358i; 59, 1585a) gave 50-80% of the following I (R = mono- or disubstituted) (R and m.p. CN or b.p./mm. given): 2-F, 103°/35; 4-F, 38°; 2,4-F2, 46°; 2,6-F2, 99°/20; 2-F-5-CF3 (II), 99°/27. Similarly, 2-chloro-pyridinecarbonitriles afforded 54-88% of the following III (R = CN) derivatives (R and m.p. given): 3-CN, 30°; 4-CN, 33°; 5-CN, 51°; 6-CN, 34°. 3-Bromo-4-chloro-α,α,α-trifluorotoluene heated at 145° for 42 hrs. with excess CuCN and KF in HCONMe2 produced 57% II and 43% I (R = 4-5-Cl-CF3), m. 39°.

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Benzofuran – Wikipedia,
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Product Details of 3939-12-6. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Anhydrous Tetramethylammonium Fluoride for Room-Temperature SNAr Fluorination.

This paper describes the room-temperature SNAr fluorination of aryl halides and nitroarenes using anhydrous tetramethylammonium fluoride (NMe4F). This reagent effectively converts aryl-X (X = Cl, Br, I, NO2, OTf) to aryl-F under mild conditions (often room temperature). Substrates for this reaction include electron-deficient heteroaromatics (22 examples) and arenes (5 examples). The relative rates of the reactions vary with X as well as with the structure of the substrate. However, in general, substrates bearing X = NO2 or Br react fastest. In all cases examined, the yields of these reactions are comparable to or better than those obtained with CsF at elevated temperatures (i.e., more traditional halex fluorination conditions). The reactions also afford comparable yields on scales ranging from 100 mg to 10 g. A cost anal. is presented, which shows that fluorination with NMe4F is generally more cost-effective than fluorination with CsF.

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Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-Fluoronicotinonitrile(SMILESS: N#CC1=CC=C(F)N=C1,cas:3939-12-6) is researched.Recommanded Product: 16588-26-4. The article 《Solvent and substituent effects on fluorine-19 chemical shifts in some 5-substituted 2-fluoropyridines》 in relation to this compound, is published in Journal of the Chemical Society [Section] B: Physical Organic. Let’s take a look at the latest research on this compound (cas:3939-12-6).

The 19F NMR chem. shifts of several 5-substituted 2-fluoropyridines in 4 widely different solvents have been measured. The effects of solvents and substituents on the shifts paralleled those in the benzene series with certain modifications.

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Benzofuran – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Discovery of PIPE-359, a Brain-Penetrant, Selective M1 Receptor Antagonist with Robust Efficacy in Murine MOG-EAE, the main research direction is PIPE359 muscarinic M1 receptor antagonist EAE multiple sclerosis remyelination.Electric Literature of C6H3FN2.

The discovery of PIPE-359, a brain-penetrant and selective antagonist of the muscarinic acetylcholine receptor subtype 1 is described. Starting from a literature-reported M1 antagonist, linker replacement and structure-activity relationship investigations of the eastern 1-(pyridinyl)piperazine led to the identification of a novel, potent, and selective antagonist with good MDCKII-MDR1 permeability. Continued semi-iterative positional scanning facilitated improvements in the metabolic and hERG profiles, which ultimately delivered PIPE-359. This advanced drug candidate exhibited robust efficacy in mouse myelin oligodendrocyte glycoprotein (MOG)-induced exptl. autoimmune encephalitis (EAE), a preclin. model for multiple sclerosis.

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Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Concise Synthesis of Furo[2,3-b]indolines via [3,3]-Sigmatropic Rearrangement of N-Alkenyloxyindoles, the main research direction is furoindoline preparation; alkenyloxyindole sigmatropic rearrangement.Quality Control of 6-Fluoronicotinonitrile.

A concise new synthetic route to furo[2,3-b]indolines has been developed by taking advantage of the reactivity of N-alkenyloxyindole intermediates. These compounds spontaneously underwent [3,3]-sigmatropic rearrangement followed by cyclization to form hemiaminals as single diastereomers. Tin-promoted N-hydroxyindole formation followed by conjugate addition to activated alkynes provides simple and modular access to a diverse array of N-alkenyloxyindoles and their corresponding furo[2,3-b]indolines. Microscale high-throughput experimentation was used to facilitate investigation of the scope and tolerance of this transformation and related studies on the nucleophilic aromatic substitution and rearrangement of N-hydroxyindoles with halogenated arenes have also been evaluated.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem