(3S,9aR)-3-(3-cyano-4-fluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (3S,9aR)-3-(3-cyano-4-fluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid
• 化学式: C₁₅H₁₆FN₃O₃
• 分子量: 305.3
• InChiKey: NSHDLIQEMOHVMA-TZMCWYRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS
  申请人：Cassayre Jerome Yves

  公开号：US20140206606A1

  公开（公告）日：2014-07-24

  The present invention provides compounds of formula (I), wherein G 1 is oxygen; R 1 is hydrogen; R 2 is group P (P) L is a bond, methylene or ethylene; one of A 1 and A 2 is S, SO or SO 2 and the other is —C(R 4 )R 4 —R 3 is hydrogen or methyl; each R 4 is independently hydrogen or methyl; Y 1 is C—R 6 , CH or nitrogen; Y 2 and Y 3 are independently CH or nitrogen; wherein no more than two of Y 1 , Y 2 and Y 3 are nitrogen and wherein Y 2 and Y 3 are not both nitrogen; R 5 is hydrogen, halogen, cyano, nitro, NH 2 , C 1 -C 2 alkyl, C 1 -C 2 haloalkyl, C 3 -C 5 cycloalkyl, C 3 -C 5 halocycloalkyl, C 1 -C 2 alkoxy, C 1 -C 2 haloalkoxy; R 6 together with R 5 forms a —CH═CH—CH═CH— bridge; X 2 is C—X 6 or nitrogen; X 1 , X 3 and X 6 are independently hydrogen, halogen or trihalomethyl, wherein at least two of X 1 , X 3 and X 6 are not hydrogen; X 4 is trifluoromethyl, difluoromethyl or chlorodifluoromethyl. The invention also provides intermediates useful for the preparation of compounds of formula (I), as well as methods of controlling insects, acarines, nematodes or molluscs using the compounds of formula (I).

  本发明提供了式（I）的化合物，其中G1为氧；R1为氢；R2为P（P）L基团，L为键，亚甲基或乙烯基；A1和A2中的一个为S，SO或SO2，另一个为-C（R4）R4-；R3为氢或甲基；每个R4独立地为氢或甲基；Y1为C-R6，CH或氮；Y2和Y3独立地为CH或氮；其中Y1、Y2和Y3中不超过两个为氮，且Y2和Y3不同时为氮；R5为氢、卤素、氰基、硝基、NH2、C1-C2烷基、C1-C2卤代烷基、C3-C5环烷基、C3-C5卤代环烷基、C1-C2烷氧基或C1-C2卤代烷氧基；R6与R5共同形成-CH═CH-CH═CH-桥；X2为C-X6或氮；X1、X3和X6独立地为氢、卤素或三卤甲基，其中至少有两个X1、X3和X6不是氢；X4为三氟甲基、二氟甲基或氯二氟甲基。本发明还提供了用于制备式（I）化合物的中间体，以及使用式（I）化合物控制昆虫、螨、线虫或软体动物的方法。
• Inhibitors of the Renal Outer Medullary Potassium Channel
  申请人：Pasternak Alexander

  公开号：US20140206618A1

  公开（公告）日：2014-07-24

  The present invention provides compounds of Formula Ia and the pharmaceutically acceptable salts thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure and conditions associated with excessive salt and water retention.

  本发明提供了公式Ia及其药学上可接受的盐的化合物，它们是ROMK（Kir1.1）通道的抑制剂。这些化合物可用作利尿剂和/或钠利尿剂，并用于治疗和预防医疗状况，包括心血管疾病，如高血压，心力衰竭以及与过多盐和水潴留有关的病症。
• INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2744499B1

  公开（公告）日：2016-09-28
• US9062070B2
  申请人：——

  公开号：US9062070B2

  公开（公告）日：2015-06-23
• US9206199B2
  申请人：——

  公开号：US9206199B2

  公开（公告）日：2015-12-08