Tag: M.W:200-300

Computed Properties of C10H7BrN4. 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: 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile, is researched, Molecular C10H7BrN4, CAS is 71856-54-7, about Synthesis and adenosine receptor affinity of a series of pyrazolo[3,4-d]pyrimidine analogs of 1-methylisoguanosine. Author is Harden, Fiona A.; Quinn, Ronald J.; Scammells, Peter J..

Two series of pyrazolo[3,4-d]pyrimidine analogs I (R = Ph, substituted Ph; R1 = Me; R = Ph, R1 = Et, Pr, Bu, Ph; R = 3-ClC6H4, R1 = Et, Pr, Bu) of 1-methylisoguanosine have been synthesized. All I were tested for A1 adenosine receptor affinity by using a (R)-{3H}-N6-(phenylisopropyl)adenosine binding assay. The 3-chlorophenyl group showed the greatest activity in the N1-position and the Bu group produced the greatest activity in the N5-position. Combination of the best substituent in each of these positions enhanced the overall activity. The most potent compound was I (R = 3-C6H4Cl, R1 = Bu) (II) with an IC50 of 6.4 × 10-6M. Selectivity at the receptor subclasses was examined by performing an A2 adenosine receptor affinity assay with [3H]CGS 21680. This series of compounds were slightly less potent at A2 receptors. II was the most potent compound with an IC50 of 19.2 × 10-6M.

Here is a brief introduction to this compound(71856-54-7)Computed Properties of C10H7BrN4, if you want to know about other compounds related to this compound(71856-54-7), you can read my other articles.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Mallinger, Aurelie; Crumpler, Simon; Pichowicz, Mark; Waalboer, Dennis; Stubbs, Mark; Adeniji-Popoola, Olajumoke; Wood, Bozena; Smith, Elizabeth; Thai, Ching; Henley, Alan T.; Georgi, Katrin; Court, William; Hobbs, Steve; Box, Gary; Ortiz-Ruiz, Maria-Jesus; Valenti, Melanie; De Haven Brandon, Alexis; Te Poele, Robert; Leuthner, Birgitta; Workman, Paul; Aherne, Wynne; Poeschke, Oliver; Dale, Trevor; Wienke, Dirk; Esdar, Christina; Rohdich, Felix; Raynaud, Florence; Clarke, Paul A.; Eccles, Suzanne A.; Stieber, Frank; Schiemann, Kai; Blagg, Julian published an article about the compound: tert-Butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate( cas:254905-58-3,SMILESS:O=C(N1CCC(C(N(C)C)=O)CC1)OC(C)(C)C ).HPLC of Formula: 254905-58-3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:254905-58-3) through the article.

WNT signaling is frequently deregulated in malignancy, particularly in colon cancer, and plays a key role in the generation and maintenance of cancer stem cells. The authors report the discovery and optimization of a 3,4,5-trisubstituted pyridine, 1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide (9), using a high-throughput cell-based reporter assay of WNT pathway activity. The authors demonstrate a twisted conformation about the pyridine-piperidine bond of (9) by small-mol. x-ray crystallog. Medicinal chem. optimization to maintain this twisted conformation, cognisant of physicochem. properties likely to maintain good cell permeability, led to 8-[3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4,5]decan-1-one (74) (CCT251545), a potent small-mol. inhibitor of WNT signaling with good oral pharmacokinetics. The authors demonstrate inhibition of WNT pathway activity in a solid human tumor xenograft model with evidence for tumor growth inhibition following oral dosing. This work provides a successful example of hypothesis-driven medicinal chem. optimization from a singleton hit against a cell-based pathway assay without knowledge of the biochem. target.

Here is a brief introduction to this compound(254905-58-3)HPLC of Formula: 254905-58-3, if you want to know about other compounds related to this compound(254905-58-3), you can read my other articles.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.18494-87-6,Benzothiophene-3-sulfonyl chloride,as a common compound, the synthetic route is as follows.

Example 393; 7-[1-(1-benzothien-3-ylsulfonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one; [Show Image] To a solution of 3,3-dimethyl-7-(piperidin-4-yl)-2-oxa-7-azaspiro[4.5]decan-1-one dihydrochloride (150 mg, 0.442 mmol) obtained in Reference Example 53 and triethylamine (0.215 mL, 1.55 mmol) in THF (2 mL) was added 1-benzothiophene-3-sulfonyl chloride (103 mg, 0.442 mmol), and the mixture was stirred at room temperature for 3 hr. The reaction mixture was diluted with ethyl acetate, washed with aqueous potassium carbonate solution and saturated brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by basic silica gel column chromatography (developing solvent; ethyl acetate) to give the title compound (180 mg, yield 88%). EI(pos) 463 [M+H]+, 18494-87-6

18494-87-6 Benzothiophene-3-sulfonyl chloride 2776340, abenzothiophene compound, is more and more widely used in various fields.

Reference：
Patent; Takeda Pharmaceutical Company Limited; EP1911753; (2008); A1;,
Benzothiophene – Wikipedia
Benzothiophene | C8H6S – PubChem