N-[(1R)-1-cyano-2-(5-cyano-2-trifluoromethyl-phenoxy)-1-methyl-ethyl]-4-trifluoromethylsulfanyl-benzamide | 887148-70-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(1R)-1-cyano-2-(5-cyano-2-trifluoromethyl-phenoxy)-1-methyl-ethyl]-4-trifluoromethylsulfanyl-benzamide
• 英文别名: ent-Monepantel；N-[(2R)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
• CAS: 887148-70-1
• 化学式: C₂₀H₁₃F₆N₃O₂S
• 分子量: 473.399
• InChiKey: WTERNLDOAPYGJD-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-[(1R)-1-cyano-2-(5-cyano-2-trifluoromethyl-phenoxy)-1-methyl-ethyl]-4-trifluoromethylsulfanyl-benzamide 在 氰化钠 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.0h， 生成 莫奈太尔
  参考文献：
  名称：

  WO2006/50887

  摘要：

  公开号：
• 作为产物：
  描述：

  莫奈太尔 生成 N-[(1R)-1-cyano-2-(5-cyano-2-trifluoromethyl-phenoxy)-1-methyl-ethyl]-4-trifluoromethylsulfanyl-benzamide 、 N-（2-氰基-1-（（2S）-5-氰基-2-（三氟甲基）苯氧基）丙-2-基）-4-（三氟甲基磺胺基）苯甲酰胺
  参考文献：
  名称：

  氨基乙腈衍生物的发现，这是一类新型的合成驱虫药。

  摘要：

  已经发现了一系列新的氨基乙腈衍生物（AAD），它们对寄生的线虫物种（例如，弯扭线虫和棒状毛线虫）表现出较高的驱虫活性。重要的是，这些化合物还显示出抗线虫菌株的活性，该菌株对目前可用的广谱驱虫药具有抗性。介绍了其发现，合成，构效关系和生物学结果。

  DOI：

  10.1016/j.bmcl.2008.03.071

文献信息

• ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：US20160213640A1

  公开（公告）日：2016-07-28

  The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and an anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R 1 is a hydrogen atom, an alkyl group and the like, R 2 , R 3 , and R 4 are the same or different and each is a hydrogen atom, an alkyl group and the like, R 5 and R 6 are the same or different and each is a hydrogen atom, a halogen atom and the like, m is 0 or 1, R is a halogen atom, a cyano group, a nitro group, a phenyl group optionally substituted by an alkyl group and the like, an alkyl group and the like, Ar 1 is a phenyl group, a naphthyl group, a pyridyl group, a pyrazolyl group, or the like, each of which is optionally substituted by a halogen atom, a cyano group, a nitro group, alkyl group and the like, and W is —O—, —S—, —SO 2 —, or —N(R 7 )— wherein R 7 is a hydrogen atom, a (C 1 -C 6 )alkyl group and the like, or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有高安全性和优越抗癌活性的抗癌剂，以及一种含有氨基乙腈化合物作为活性成分的抗癌剂，所述氨基乙腈化合物由以下式(I)表示：其中R1为氢原子、烷基等，R2、R3和R4相同或不同，每个为氢原子、烷基等，R5和R6相同或不同，每个为氢原子、卤原子等，m为0或1，R为卤原子、氰基、硝基、苯基（可选择地由烷基取代）等，烷基等，Ar1为苯基、萘基、吡啶基、吡唑基等，每个均可选择地由卤原子、氰基、硝基、烷基等取代，W为—O—、—S—、—SO2—或—N(R7)—，其中R7为氢原子、(C1-C6)烷基等，或其药理学上可接受的盐。
• [EN] ANTI CANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT<br/>[FR] AGENT ANTICANCÉREUX COMPRENANT UN COMPOSÉ D'AMINOACÉTONITRILE EN TANT QUE PRINCIPE ACTIF
  申请人：NIHON NOHYAKU CO LTD

  公开号：WO2016137010A1

  公开（公告）日：2016-09-01

  The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R1 is a hydrogen atom, an alkyl group and the like, R2, R3, and R4 are the same or different and each is a hydrogen atom, an alkyl group and the like, R5 and R6 are the same or different and each is a hydrogen atom, a halogen atom and the like, m is 0 or 1, R is a halogen atom, a cyano group, a nitro group, a phenyl group optionally substituted by an alkyl group and the like, an alkyl group and the like, Ar1 is a phenyl group, a naphthyl group, a pyridyl group, a pyrazolyl group, or the like, each of which is optionally substituted by a halogen atom, a cyano group, a nitro group, alkyl group and the like, and W is -O-, -S-, -SO2-, or -N(R7)- wherein R7 is a hydrogen atom, a (C1-C6) alkyl group and the like, or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有高安全性和优越抗癌活性的抗癌药物，该抗癌药物含有作为活性成分的氨基乙腈化合物，其化学式表示为（I），其中R1是氢原子、烷基等，R2、R3和R4相同或不同，每个是氢原子、烷基等，R5和R6相同或不同，每个是氢原子、卤原子等，m为0或1，R是卤原子、氰基、硝基、苯基（可选择地由烷基取代）等，Ar1是苯基、萘基、吡啶基、吡唑基等，每个基可选择地由卤原子、氰基、硝基、烷基等取代，W是-O-、-S-、-SO2-或-N(R7)-，其中R7是氢原子、（C1-C6）烷基等，或其药理学上可接受的盐。
• Compounds for the treatment of mTOR pathway related diseases
  申请人：Pitney Pharmaceuticals Pty Limited

  公开号：US10053422B2

  公开（公告）日：2018-08-21

  The present invention relates to compounds for the treatment of mTOR (mammalian Target Of Rapamycin) pathway related diseases. Specifically, the present invention relates to the use of aminoacetonitrile derivatives (AADs) in the treatment of mTOR pathway related diseases.

  本发明涉及用于治疗 mTOR（哺乳动物雷帕霉素靶标）通路相关疾病的化合物。具体来说，本发明涉及氨基乙腈衍生物（AADs）在治疗mTOR通路相关疾病中的用途。
• Anticancer agent comprising aminoacetonitrile compound as active ingredient
  申请人：PITNEY PHARMACEUTICALS PTY LIMITED

  公开号：US10292960B2

  公开（公告）日：2019-05-21

  The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and an anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R1 is a hydrogen atom, an alkyl group and the like, R2, R3, and R4 are the same or different and each is a hydrogen atom, an alkyl group and the like, R5 and R6 are the same or different and each is a hydrogen atom, a halogen atom and the like, m is 0 or 1, R is a halogen atom, a cyano group, a nitro group, a phenyl group optionally substituted by an alkyl group and the like, an alkyl group and the like, Ar1 is a phenyl group, a naphthyl group, a pyridyl group, a pyrazolyl group, or the like, each of which is optionally substituted by a halogen atom, a cyano group, a nitro group, alkyl group and the like, and W is —O—, —S—, —SO2—, or —N(R7)— wherein R7 is a hydrogen atom, a (C1-C6) alkyl group and the like, or a pharmacologically acceptable salt thereof.

  本发明涉及一种安全性高、抗癌活性强的抗癌剂，以及一种含有由式（I）表示的氨基乙腈化合物作为活性成分的抗癌剂。 其中 R1 是氢原子、烷基等，R2、R3 和 R4 相同或不同且各自是氢原子、烷基等，R5 和 R6 相同或不同且各自是氢原子、卤素原子等，m 是 0 或 1，R 是卤素原子、氰基、硝基、任选被烷基取代的苯基等、Ar1 是苯基、萘基、吡啶基、吡唑基或类似基团，其中每个基团可选被卤素原子、氰基、硝基、烷基或类似基团取代；W 是-O-、-S-、-SO2-或-N(R7)-，其中 R7 是氢原子、（C1-C6）烷基或类似基团，或其药理学上可接受的盐。
• Anti-cancer agent comprising aminoacetonitrile compound as active ingredient
  申请人：Pitney Pharmaceuticals Pty Limited

  公开号：US10391076B2

  公开（公告）日：2019-08-27

  The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R1 is a hydrogen atom, an alkyl group and the like, R2, R3, and R4 are the same or different and each is a hydrogen atom, an alkyl group and the like, R5 and R6 are the same or different and each is a hydrogen atom, a halogen atom and the like, m is 0 or 1, R is a halogen atom, a cyano group, a nitro group, a phenyl group optionally substituted by an alkyl group and the like, an alkyl group and the like, Ar1 is a phenyl group, a naphthyl group, a pyridyl group, a pyrazolyl group, or the like, each of which is optionally substituted by a halogen atom, a cyano group, a nitro group, alkyl group and the like, and W is —O—, —S—, —SO2—, or —N(R7)— wherein R7 is a hydrogen atom, a (C1-C6)alkyl group and the like, or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有高度安全性和优异抗癌活性的抗癌剂，以及含有由式(I)表示的氨基乙腈化合物作为活性成分的抗癌剂，其中R1是氢原子、烷基等，R2、R3和R4相同或不同，各自是氢原子、烷基等，R5和R6相同或不同，各自是氢原子、卤素原子等，m是0或1，R是卤素原子、氰基、硝基、任选被烷基等取代的苯基、烷基等，Ar1是苯基、萘基、烷基等，R2、R3和R4相同或不同，各自是氢原子、烷基等，R5和R6相同或不同，各自是氢原子、卤素原子等，m是0或1，R是卤素原子、氰基、硝基、任选被烷基等取代的苯基、烷基等、氰基、硝基、任选被烷基等取代的苯基、烷基等，Ar1 是苯基、萘基、吡啶基、吡唑基等，其中每个基团任选被卤素原子取代、W为-O-、-S-、-SO2-或-N(R7)-，其中 R7 为氢原子、(C1-C6)烷基等，或其药理上可接受的盐。