2-[Cyclohexyl(ethoxy)methyl]piperidine

• 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: 2-[Cyclohexyl(ethoxy)methyl]piperidine
• 英文别名: 2-[cyclohexyl(ethoxy)methyl]piperidine
• 化学式: C₁₄H₂₇NO
• 分子量: 225.37
• InChiKey: BNHMZIBWGKWCAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• NITROGEN-CONTAINING TRICYCLIC DERIVATIVE HAVING HIV REPLICATION INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP3305789A1

  公开（公告）日：2018-04-11

  The present invention provides a novel compound having antiviral activity, especially HIV replication inhibitory activity and a medicament containing the same. The compound represented by the formula: wherein A3 is CR3A, CR3A R3B, N or NR3C; R3A, R3B, R4A and R4B are each independently a hydrogen atom, halogen, cyano, substituted or unsubstituted alkyl, substituted or unsubstituted alkynyl, or substituted or unsubstituted non-aromatic carbocyclyl; R3C is a hydrogen atom, substituted or unsubstituted alkyl, or substituted or unsubstituted non-aromatic carbocyclyl; ring T1 is substituted or unsubstituted nitrogen-containing non-aromatic heterocycle; R1 is a hydrogen atom, halogen, cyano, or substituted or unsubstituted alkyl; R2 is each independently substituted or unsubstituted alkyl or the like: n is 1 or 2; R3 is substituted or unsubstituted aromatic carbocyclyl or the like; R4 is a hydrogen atom or a carboxy protecting group.

  本发明提供了一种具有抗病毒活性的新型化合物，特别是具有抑制HIV复制活性的化合物和含有该化合物的药物。该化合物由以下式表示： 其中A3为CR3A、CR3A R3B、N或NR3C；R3A、R3B、R4A和R4B分别独立地为氢原子、卤素、氰基、取代或未取代的烷基、取代或未取代的炔基，或取代或未取代的非芳香碳环烷基；R3C为氢原子、取代或未取代的烷基，或取代或未取代的非芳香碳环烷基；环T1为取代或未取代的含氮非芳香杂环；R1为氢原子、卤素、氰基，或取代或未取代的烷基；R2分别为取代或未取代的烷基或类似物；n为1或2；R3为取代或未取代的芳香碳环烷基或类似物；R4为氢原子或羧基保护基。
• AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20150038483A1

  公开（公告）日：2015-02-05

  The present invention is related to a compound represented by formula (I) wherein R 1 is a hydrogen atom, substituted or unsubstituted alkyl, substituted or unsubstituted aromatic carbocyclyl, or the like; X is —N(R 3 )—, —O—, or —S—; Y is ═C(R 4 )—, or ═N—; Z is —N(R 7 )—, —O—, or —S—; R 2 is substituted or unsubstituted alkyloxy, or the like, or a group represented by the following formula: —(CR 2a R 2b ) n —R 2c , wherein R 2a is each independently a hydrogen atom, halogen, or the like; R 2b is each independently a hydrogen atom, halogen, or the like; R 2a and R 2b which are attached to the same carbon atom may be taken together to form oxo, a substituted or unsubstituted non-aromatic carbocycle, or the like; two of R 2a which are attached to the adjacent carbon atoms and/or two of R 2b which are attached to the adjacent carbon atoms may be taken together to form a bond; R 2c is substituted or unsubstituted aromatic carbocyclyl, or the like; n is an integer from 1 to 3; R 3 and R 7 are each independently a hydrogen atom, substituted or unsubstituted alkyl, or the like; R 4 and R 5 are each independently a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like; R 6 is a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising thereof.

  本发明涉及一种由式（I）表示的化合物，其中R1是氢原子，取代或未取代的烷基，取代或未取代的芳香环烷基等；X是—N(R3)—，—O—或—S—；Y是═C(R4)—或═N—；Z是—N(R7)—，—O—或—S—；R2是取代或未取代的烷氧基等，或以下式表示的基团：—(CR2aR2b)n—R2c，其中R2a分别是氢原子，卤素等；R2b分别是氢原子，卤素等；附在同一碳原子上的R2a和R2b可以共同形成氧化物，取代或未取代的非芳香环烷基等；附在相邻碳原子上的两个R2a和/或附在相邻碳原子上的两个R2b可以共同形成键；R2c是取代或未取代的芳香环烷基等；n是1到3的整数；R3和R7分别是氢原子，取代或未取代的烷基等；R4和R5分别是氢原子，卤素，取代或未取代的烷基等；R6是氢原子，卤素，取代或未取代的烷基等，或其药学上可接受的盐，或包含其的药物组合物。
• AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2832731A1

  公开（公告）日：2015-02-04

  The present invention is related to a compound represented by formula (I) wherein R1 is a hydrogen atom, substituted or unsubstituted alkyl, substituted or unsubstituted aromatic carbocyclyl, or the like; X is -N(R3)-, -O-, or -S-; Y is =C(R4)-, or =N-; Z is -N(R7)-, -O-, or -S-; R2 is substituted or unsubstituted alkyloxy, or the like, or a group represented by the following formula: -(CR2aR2b)n-R2c, wherein R2a is each independently a hydrogen atom, halogen, or the like; R2b is each independently a hydrogen atom, halogen, or the like; R2a and R2b which are attached to the same carbon atom may be taken together to form oxo, a substituted or unsubstituted non-aromatic carbocycle, or the like; two of R2a which are attached to the adjacent carbon atoms and/or two of R2b which are attached to the adjacent carbon atoms may be taken together to form a bond; R2c is substituted or unsubstituted aromatic carbocyclyl, or the like; n is an integer from 1 to 3; R3 and R7 are each independently a hydrogen atom, substituted or unsubstituted alkyl, or the like; R4 and R5 are each independently a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like; R6 is a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising thereof.

  本发明涉及一种由式（I）表示的化合物 其中 R1 是氢原子、取代或未取代的烷基、取代或未取代的芳香族羰基或类似物；X 是-N(R3)-、-O-或-S-；Y 是＝C(R4)-、或＝N-；Z 是-N(R7)-、-O-或-S-； R2 是取代或未取代的烷氧基，或类似物，或下式所代表的基团：-(CR2aR2b)n-R2c，其中 R2a 各自独立地为氢原子、卤素或类似物；R2b 各自独立地为氢原子、卤素或类似物；连接到相同碳原子上的 R2a 和 R2b 可一起形成氧代、取代或未取代的非芳香族碳环或类似物；与相邻碳原子相连的两个 R2a 和/或与相邻碳原子相连的两个 R2b 可结合在一起形成键； R2c 是取代或未取代的芳香族碳环或类似物； n 是 1 到 3 的整数； R3 和 R7 各自独立地为氢原子、取代或未取代的烷基或类似物； R4 和 R5 各自独立地为氢原子、卤素、取代或未取代的烷基或类似物； R6 是氢原子、卤素、取代或未取代的烷基或类似物、 或其药学上可接受的盐，或由其组成的药物组合物。
• TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL
  申请人：Shionogi & Co., Ltd

  公开号：EP3318567A1

  公开（公告）日：2018-05-09

  It is intended to provide a compound that exhibits a strong antibacterial spectrum against various bacteria including gram-negative bacteria, or a pharmaceutical composition having an antibacterial activity against carbapenem-resistant bacteria. The present invention provides a compound represented by formula (I): wherein -W- is -S(=O)- or -S(=O)2-, -T- is -CR4AR4B- or -CR5AR5B-CR6AR6B-, R4A, R4B, R5A, R5B, R6A and R6B are each independently a hydrogen atom or the like, R1 is substituted or unsubstituted heterocyclyl or the like, R2A and R2B are each independently a hydrogen atom or the like, or R2A and R2B are taken together to form substituted or unsubstituted methylidene or the like, and R3 is a hydrogen atom or the like, R11 is carboxy or the like, R7A and R7b are each independently a hydrogen atom or the like, its ester form or a pharmaceutically acceptable salt thereof, or a hydrate thereof.

  本发明旨在提供一种对包括革兰氏阴性菌在内的各种细菌具有强抗菌谱的化合物，或一种对耐碳青霉烯类细菌具有抗菌活性的药物组合物。 本发明提供了一种由式（I）代表的化合物： 其中-W-是-S(＝O)-或-S(＝O)2-，-T-是-CR4AR4B-或-CR5AR5B-CR6AR6B-，R4A、R4B、R5A、R5B、R6A和R6B各自独立地是氢原子或类似物，R1是取代或未取代的杂环基或类似物，R2A和R2B各自独立地是氢原子或类似物、或 R2A 和 R2B 合在一起形成取代或未取代的亚甲基或类似物，R3 是氢原子或类似物，R11 是羧基或类似物，R7A 和 R7b 各自独立地是氢原子或类似物、其酯形式或其药学上可接受的盐或其水合物。
• ACC2 INHIBITORS
  申请人：Shionogi & Co., Ltd.

  公开号：EP3670496A2

  公开（公告）日：2020-06-24

  The object of the present invention is to provide novel compounds having ACC2 inhibiting activity. In addition, the object of the present invention is to provide a pharmaceutical composition comprising the compound. A compound of formula (I): wherein R1 is substituted or unsubstituted fused aromatic heterocyclyl etc., ring A is substituted or unsubstituted non-aromatic carbocycle etc., -L1- is -O-(CR6R7)m- etc., -L2- is -O-(CR6R7)n- etc., each R6 and R7 are independently hydrogen, halogen etc., R2 is substituted or unsubstituted alkyl, R3 is hydrogen or substituted or unsubstituted alkyl, R4 is substituted or unsubstituted alkylcarbonyl etc..

  本发明的目的是提供具有 ACC2 抑制活性的新型化合物。此外，本发明的目的是提供一种包含该化合物的药物组合物。 式(I)的化合物： 其中 R1 是取代或未取代的融合芳香杂环等、 环 A 是取代或未取代的非芳香族碳环等、 -L1-是-O-(CR6R7)m-等、 -L2-是-O-(CR6R7)n-等、 每个 R6 和 R7 独立地是氢、卤素等、 R2 是取代或未取代的烷基、 R3 是氢或取代或未取代的烷基、 R4 是取代或未取代的烷基羰基等。