N-(2-hydroxy-1,1-dimethylethyl)-6-(1'H-spiro[1-benzofuran-3,4'-piperidin]-1'-yl)pyridazine-3-carboxamide | 1047657-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: N-(2-hydroxy-1,1-dimethylethyl)-6-(1'H-spiro[1-benzofuran-3,4'-piperidin]-1'-yl)pyridazine-3-carboxamide
• 英文别名: N-(1-hydroxy-2-methylpropan-2-yl)-6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazine-3-carboxamide
• CAS: 1047657-35-1
• 化学式: C₂₁H₂₆N₄O₃
• 分子量: 382.462
• InChiKey: RYXWNPLLINQBSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• SPIRO COMPOUND AND USE THEREOF
  申请人：Taniguchi Takahiko

  公开号：US20100069351A1

  公开（公告）日：2010-03-18

  The present invention aims to provide a novel SCD inhibitor. The present invention relate to SCD inhibitor comprising A compound represented by the formula (I) wherein R is an optionally substituted cyclic group or an optionally substituted carbamoyl group, provided that R is not an optionally substituted 7-pyrido[2,3-d]pyrimidyl group; ring A is an optionally further substituted pyridazine ring; R 1 , R 2 , R 3 , R 4 , R 11 , R 12 , R 13 and R 14 are each independently a hydrogen atom or a substituent, or R 1 and R 11 in combination, R 2 and R 12 in combination, R 3 and R 13 in combination, or R 4 and R 14 in combination optionally form an oxo group, or R 2 and R 4 in combination optionally form a bond or an alkylene cross-linkage; m and n are each independently an integer of 0 to 2; ring B is an optionally substituted ring, provided that the two atoms constituting ring B, which are adjacent to the spiro carbon atom, are not oxygen atoms at the same time, or a salt thereof, or a prodrug thereof.

  本发明旨在提供一种新型SCD抑制剂。本发明涉及一种包括下式（I）所表示的化合物的SCD抑制剂：其中R是一个可选择取代的环基或可选择取代的氨甲酰基，但R不是一个可选择取代的7-吡啶并[2,3-d]嘧啶基团；环A是一个可选择进一步取代的吡啶并嘧啶环；R1、R2、R3、R4、R11、R12、R13和R14分别独立地是氢原子或取代基，或R1和R11的组合体，R2和R12的组合体，R3和R13的组合体，或R4和R14的组合体可选择形成氧基，或R2和R4的组合体可选择形成键或烷基交联；m和n分别独立地是0到2的整数；环B是一个可选择取代的环，但构成环B的两个与螺碳原子相邻的原子不同时为氧原子，或其盐，或其前药。
• US8575167B2
  申请人：——

  公开号：US8575167B2

  公开（公告）日：2013-11-05