1-(4-methylsulfonylphenyl)piperidin-4-one | 116248-04-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(4-methylsulfonylphenyl)piperidin-4-one
• 英文别名: 1-(4-Methanesulfonylphenyl)piperidin-4-one
• CAS: 116248-04-5
• 化学式: C₁₂H₁₅NO₃S
• mdl: MFCD12412816
• 分子量: 253.322
• InChiKey: GTZWPKAXDBXBOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-methylsulfonylphenyl)piperidin-4-one 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 6-(4-methylsulfonylphenyl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
  参考文献：
  名称：

  [EN] TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS
  [FR] TÉTRAHYDROPYRIDOPYRIMIDINES ET TÉTRAHYDROPYRIDOPYRIDINES COMME INHIBITEURS D'AG HBS (ANTIGÈNE DE SURFACE DU VIRUS DE L'HÉPATITE B) ET PRODUCTION D'ADN DE VHB POUR LE TRAITEMENT D'INFECTIONS PAR LE VIRUS DE L'HÉPATITE B

  摘要：

  本发明提供了具有一般式(I)的四氢吡啶嘧啶和四氢吡啶吡啶，其中R1、R2、U、W、X、Y和Z如本文所述，作为乙型肝炎病毒表面抗原（HBsAg）和HBV DNA的抑制剂，用于治疗和预防乙型肝炎病毒感染。

  公开号：

  WO2016177655A1
• 作为产物：
  描述：

  4-溴苯甲砜 在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 甲酸 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 生成 1-(4-methylsulfonylphenyl)piperidin-4-one
  参考文献：
  名称：

  [EN] TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS
  [FR] TÉTRAHYDROPYRIDOPYRIMIDINES ET TÉTRAHYDROPYRIDOPYRIDINES COMME INHIBITEURS D'AG HBS (ANTIGÈNE DE SURFACE DU VIRUS DE L'HÉPATITE B) ET PRODUCTION D'ADN DE VHB POUR LE TRAITEMENT D'INFECTIONS PAR LE VIRUS DE L'HÉPATITE B

  摘要：

  本发明提供了具有一般式(I)的四氢吡啶嘧啶和四氢吡啶吡啶，其中R1、R2、U、W、X、Y和Z如本文所述，作为乙型肝炎病毒表面抗原（HBsAg）和HBV DNA的抑制剂，用于治疗和预防乙型肝炎病毒感染。

  公开号：

  WO2016177655A1

文献信息

• [EN] NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION<br/>[FR] NOUVELLES TÉTRAHYDROPYRIDOPYRIMIDINES ET TÉTRAHYDROPYRIDOPYRIDINES POUR LE TRAITEMENT ET LA PRÉVENTION D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016107832A1

  公开（公告）日：2016-07-07

  The invention provides novel compounds having the general formula (I): wherein R1, R2, R3, Q, U,W, Z, X and Y are as described herein, compositions including the compounds and methods of using the compounds. These compounds are HbsAg inhibitors and are useful as medicaments for the treatment or prophylaxis of HBV infection.

  这项发明提供了具有一般式（I）的新化合物：其中R1、R2、R3、Q、U、W、Z、X和Y如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。这些化合物是HbsAg抑制剂，可用作治疗或预防HBV感染的药物。
• 2-Arylbenzo(b)(1,6)naphthyridines as inhibitors of interleukin 1
  申请人：American Home Products Corporation

  公开号：US04808612A1

  公开（公告）日：1989-02-28

  There is disclosed a method for the treatment of inflammatory conditions and of collegenase-induced tissue destruction which comprises the administration of a therapeutically effective amount of a compound of the formula ##STR1## wherein R.sup.1 is phenyl or naphthyl, or phenyl or naphthyl substituted with halo, lower alkyl, lower alkyl carbonyl, benzoyl, carboxy, lower alkoxycarbonyl, OR.sup.2, N(R.sup.2).sub.2, CON(R.sup.2).sub.2, SO.sub.3 R.sup.2, SO.sub.2 N(R.sup.2).sub.2, phenylsulfonyl, lower alkylsulfonyl, cyano nitro or trifluoromethyl; R.sup.2 is hydrogen, lower alkyl or phenyl; R.sup.3 is halo, morpholino, 4-methylpiperazino R.sup.4 NNHR.sup.5, NR.sup.4 R.sup.5, OR.sup.5, SR.sup.5, ##STR2## R.sup.4 is hydrogen or lower alkyl; R.sup.5 is hydrogen, lower alkyl, lower alkanoyl, lower cycloalkyl or phenyl; and R.sup.6 and R.sup.7 are each independently, hydrogen, halo, nitro, lower alkoxy, lower alkyl, cyano, trifluoromethyl, phenyl, carboxy or lower alkoxycarbonyl; which compounds, by virtue of their ability to inhibit interleukin 1, are useful as antiinflammatory agents and in treatment of disease states involving enzymatic tissue destruction, and are also intermediates in the preparation of other compounds which possess identical activities.

  本发明公开了一种用于治疗炎症病症和胶原酶诱导的组织破坏的方法，包括向患者施用化合物的治疗有效量，该化合物的结构如下：其中R.sup.1是苯基或萘基，或带有卤素、较低烷基、较低烷基羰基、苯甲酰基、羧基、较低烷氧羰基、OR.sup.2、N(R.sup.2).sub.2、CON(R.sup.2).sub.2、SO.sub.3R.sup.2、SO.sub.2N(R.sup.2).sub.2、苯基磺酰基、较低烷基磺酰基、氰基、硝基或三氟甲基取代的苯基或萘基；R.sup.2是氢、较低烷基或苯基；R.sup.3是卤素、吗啡啉、4-甲基哌嗪R.sup.4 NNHR.sup.5、NR.sup.4R.sup.5、OR.sup.5、SR.sup.5、以及R.sup.4是氢或较低烷基；R.sup.5是氢、较低烷基、较低烷酰基、较低环烷基或苯基；R.sup.6和R.sup.7各自独立地是氢、卤素、硝基、较低烷氧基、较低烷基、氰基、三氟甲基、苯基、羧基或较低烷氧羰基。这些化合物由于其抑制白细胞介素1的能力，可用作抗炎药物，并用于治疗涉及酶性组织破坏的疾病状态，同时也是制备具有相同活性的其他化合物的中间体。
• 2-amino-3-cyano-bicyclic pyridines/pyrazines as inhibitors of
  申请人：American Home Products Corporation

  公开号：US04902685A1

  公开（公告）日：1990-02-20

  There are disclosed compounds of the formula ##STR1## wherein X is CH or N Y is CHR.sup.1, NR.sup.2, O or S; R.sup.1 is lower alkenyl, lower alkynyl, or unsubstituted or substituted phenyl, naphthyl, pyridyl, pyrazinyl, pyrimidinyl, quinolyl, quinazolinyl or quinoxalinyl, wherein the substituents are selected from halo, lower alkyl, lower alkoxy, carboxy, lower alkoxycarbonyl, lower alkyl sulfonyl, nitro, cyano, trifluoromethyl, hydroxy, mercapto and lower alkylthio; and R.sup.2 is hydrogen, lower alkyl, lower alkenyl, lower alkynyl, or unsubstituted or substituted phenyl, naphthyl, pyridyl, pyrazinyl, pyrimidinyl, quinolyl, quinazolinyl or quinoxalinyl, wherein the substituents are selected from halo, lower alkyl, lower alkoxy, carboxy, lower alkoxycarbonyl, lower alkylsulfonyl, nitro, cyano, trifluoromethyl, hydroxy, mercapto and lower alkylthio, with the proviso that when R.sup.2 is substituted phenyl, the substituent is other than carboxy or lower alkoxycarbonyl, which, by virtue of their ability to inhibit interleukin 1, are of use as antiinflammatory agents and in treatment of disease states involving enzymatic tissue destruction, and there is also disclosed a method of using such compounds in the treatment of immunoinflammatory, inflammatory/proliferative and enzymatic tissue destruction conditions.

  公开了一些化合物的式子，其中X为CH或N，Y为CHR1，NR2，O或S; R1为低烯烃基，低炔烃基，或未取代或取代的苯基，萘基，吡啶基，吡咯烷基，嘧啶基，喹啉基，喹唑啉基或喹喔啉基，其中取代基被选择为卤素，低烷基，低烷氧基，羧基，低烷氧羰基，低烷基磺酰基，硝基，氰基，三氟甲基，羟基，巯基和低烷硫基; R2为氢，低烷基，低烯烃基，低炔烃基，或未取代或取代的苯基，萘基，吡啶基，吡咯烷基，嘧啶基，喹啉基，喹唑啉基或喹喔啉基，其中取代基被选择为卤素，低烷基，低烷氧基，羧基，低烷氧羰基，低烷基磺酰基，硝基，氰基，三氟甲基，羟基，巯基和低烷硫基，但是当R2为取代的苯基时，取代基不是羧基或低烷氧羰基。这些化合物由于其抑制白细胞介素1的能力而用作抗炎药物，并用于治疗涉及酶性组织破坏的疾病状态，还公开了使用这些化合物治疗免疫炎症，炎症/增生和酶性组织破坏的方法。
• Substituted 1,2-dihydro-4h-3,1-benzoxazin-4-one derivatives inhibitors
  申请人：American Home Products Corporation

  公开号：US04894374A1

  公开（公告）日：1990-01-16

  There are disclosed compounds of the formula: ##STR1## wherein X is CHR, NR.sup.1, S or O; R is hydrogen, lower alkenyl, pyridyl, quinolinyl, pyrazinyl, pyrimidinyl, quinoxalinyl or quinazolinyl, or substituted phenyl, naphthyl, pyridyl, quinolinyl, pyrazinyl, pyrimidinyl, quinoxalinyl or quinazolinyl, wherein the substituents are selected from halo, carboxy, lower alkoxycarbonyl, lower alkylsulfonyl, cyano, nitro and trifluoromethyl; R.sup.1 is lower alkenyl, pyridyl, pyrazinyl, pyrimidinyl, quinoxalinyl or quinazolinyl, or substituted phenyl, naphthyl, pyridyl, quinolinyl, pyrazinyl, pyrimidinyl, quinoxalinyl or quinazolinyl, wherein the substituents are selected from halo, carboxy, lower alkoxycarbonyl, lower alkylsulfonyl, cyano, nitro and trifluoromethyl; and R.sup.2 and R.sup.3 are each, independently, hydrogen, halo, lower alkyl, lower alkenyl, lower alkoxy, hydroxy, amino, mono- or diloweralkylamino, carboxy, lower alkoxycarbonyl, nitro or cyano; which, by virtue of their ability to inhibit interleukin 1, are of use as antiinflammatory agents and in treatment of disease states involving enzymatic tissue destruction, and there is also disclosed a method using such compounds in the treatment of immunoinflammatory, inflammatory/proliferative and enzymatic tissue destruction conditions.

  公式为：##STR1## 的化合物被披露，其中X是CHR，NR.sup.1，S或O; R是氢，较低的烯基，吡啶基，喹啉基，吡嗪基，嘧啶基，喹喔啉基或喹唑啉基，或取代的苯基，萘基，吡啶基，喹啉基，吡嗪基，嘧啶基，喹喔啉基或喹唑啉基，其中取代基被选择为卤素，羧基，较低的烷氧羰基，较低的烷基磺酰基，氰基，硝基和三氟甲基; R.sup.1是较低的烯基，吡啶基，吡嗪基，嘧啶基，喹喔啉基或喹唑啉基，或取代的苯基，萘基，吡啶基，喹啉基，吡嗪基，嘧啶基，喹喔啉基或喹唑啉基，其中取代基被选择为卤素，羧基，较低的烷氧羰基，较低的烷基磺酰基，氰基，硝基和三氟甲基; R.sup.2和R.sup.3各自独立地是氢，卤素，较低的烷基，较低的烯基，较低的烷氧基，羟基，氨基，单或双较低烷基氨基，羧基，较低的烷氧羰基，硝基或氰基; 由于它们抑制白细胞介素1的能力，因此可用作抗炎药物，并用于治疗涉及酶组织破坏的疾病状态，还披露了一种使用这些化合物治疗免疫炎症，炎症/增殖和酶组织破坏条件的方法。
• Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection
  申请人：Hoffmann-La Roche Inc.

  公开号：US10196391B2

  公开（公告）日：2019-02-05

  The invention provides novel compounds having the general formula: wherein R1, R2, R3, Q, U, W, Z, X and Y are as described herein, compositions including the compounds and methods of using the compounds. These compounds are HbsAg inhibitors and are useful as medicaments for the treatment or prophylaxis of HBV infection.

  本发明提供了具有通式的新型化合物： 其中 R1、R2、R3、Q、U、W、Z、X 和 Y 如本文所述，提供了包括这些化合物的组合物和使用这些化合物的方法。这些化合物是 HbsAg 抑制剂，可用作治疗或预防 HBV 感染的药物。