1'-({6-[(Z)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-3,5-dihydro-6H-spiro[furo[3,4-c]pyridine-1,4'-piperidin]-6-one | 1017599-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1'-({6-[(Z)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-3,5-dihydro-6H-spiro[furo[3,4-c]pyridine-1,4'-piperidin]-6-one
• 英文别名: 1'-[[6-[(Z)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]pyridin-3-yl]methyl]-5-methylspiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-6-one
• CAS: 1017599-67-5
• 化学式: C₂₇H₂₈F₂N₄O₃
• 分子量: 494.541
• InChiKey: FPPIDMVDDSIXTQ-ZXPTYKNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  67.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1'-({6-[(3,4-difluorophenyl)carbonyl]-3-pyridinyl}methyl)-5-methyl-3,5-dihydro-6H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-one 、 乙氧基胺盐酸盐 在 吡啶 作用下， 反应 6.0h， 以50%的产率得到1'-({6-[(E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-3,5-dihydro-6H-spiro[furo[3,4-c]pyridine-1,4'-piperidin]-6-one
  参考文献：
  名称：

  发现新型二芳基酮肟衍生物作为选择性和口服活性黑色素浓缩激素1受体拮抗剂

  摘要：

  铅2a的优化导致鉴定了一种新型的二芳基酮肟类黑色素浓缩激素1受体（MCH-1R）拮抗剂。我们的重点是提高hERG活性和代谢稳定性。代表性的衍生物4b在口服给药后，在饮食诱导的肥胖（DIO）C57BL / 6J小鼠中显示出有效且剂量依赖性的体重降低。描述了新型二芳基酮肟MCH-1R拮抗剂的合成及其构效关系。

  DOI：

  10.1016/j.bmcl.2009.07.132

文献信息

• Diaryl ketimine derivative
  申请人：Ando Makoto

  公开号：US20090247560A1

  公开（公告）日：2009-10-01

  Provided is a compound of a formula (I): [wherein R 1a and R 1b are the same or different, representing a hydrogen atom, etc.; R 2a and R 2b are the same or different, representing a hydrogen atom, etc., or R 2a and R 2b , taken together, form —CH 2 CH 2 —, R 3a and R 3b are the same or different, representing a hydrogen atom, etc.; or R 3a and R 3b , taken together, form —CH 2 CH 2 -etc.; Y 1 and Y 2 represent —C(R) 2 —, etc.; Z represents OR, NR 2 , etc.; R represents a hydrogen atom, a C 1-6 alkyl group, etc.; Ar 1 represents a 6-membered aromatic carbocyclic group, etc.; Ar 2 represents a 6-membered aromatic carbocyclic group, etc; A 3 represents a 6-membered aromatic carbocyclic group etc.]. The compound is useful as a medicine for central disorders, cardiovascular disorders, metabolic disorders.

  提供的是化合物公式(I)的复合物：[其中R1a和R1b相同或不同，代表氢原子等；R2a和R2b相同或不同，代表氢原子等，或者R2a和R2b结合形成-CH2CH2-，R3a和R3b相同或不同，代表氢原子等；或者R3a和R3b结合形成-CH2CH2-等；Y1和Y2代表-C(R)2-等；Z代表OR、NR2等；R代表氢原子、C1-6烷基等；Ar1代表6-成员芳香环烷基等；Ar2代表6-成员芳香环烷基等；A3代表6-成员芳香环烷基等。]该化合物可用作治疗中枢障碍、心血管障碍、代谢障碍的药物。
• DIARYL KETIMINE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2072519A1

  公开（公告）日：2009-06-24

  Provided is a compound of a formula (I): [wherein R1a and R1b are the same or different, representing a hydrogen atom, etc.; R2a and R2b are the same or different, representing a hydrogen atom, etc., or R2a and R2b, taken together, form -CH2CH2-, R3a and R3b are the same or different, representing a hydrogen atom, etc.; or R3a and R3b, taken together, form - CH2CH2-etc.; Y1 and Y2 represent -C(R)2-, etc.; Z represents OR, NR2, etc.; R represents a hydrogen atom, a C1-6 alkyl group, etc.; Ar1 represents a 6-membered aromatic carbocyclic group, etc.; Ar2 represents a 6-membered aromatic carbocyclic group, etc; A3 represents a 6-membered aromatic carbocyclic group etc.]. The compound is useful as a medicine for central disorders, cardiovascular disorders, metabolic disorders.

  本文提供了一种式 (I) 的化合物： [其中 R1a 和 R1b 相同或不同，代表氢原子等；R2a 和 R2b 相同或不同，代表氢原子等、或 R2a 和 R2b 相同或不同，代表氢原子等；或 R3a 和 R3b 相同或不同，代表-CH2CH2-等； Y1 和 Y2 代表-C(R)2-等； Z 代表 OR、NR2 等。R 代表氢原子、C1-6 烷基等；Ar1 代表 6 元芳香碳环基团等；Ar2 代表 6 元芳香碳环基团等；A3 代表 6 元芳香碳环基团等]。该化合物可作为治疗中枢性疾病、心血管疾病和代谢紊乱的药物。
• Discovery of novel diarylketoxime derivatives as selective and orally active melanin-concentrating hormone 1 receptor antagonists
  作者：Takao Suzuki、Minoru Kameda、Makoto Ando、Hiroshi Miyazoe、Etsuko Sekino、Satoru Ito、Kouta Masutani、Kaori Kamijo、Akihiro Takezawa、Minoru Moriya、Masahiko Ito、Junko Ito、Kazuho Nakase、Hiroko Matsushita、Akane Ishihara、Norihiro Takenaga、Shigeru Tokita、Akio Kanatani、Nagaaki Sato、Takehiro Fukami

  DOI：10.1016/j.bmcl.2009.07.132

  日期：2009.9

  Optimization of the lead 2a led to the identification of a novel diarylketoxime class of melanin-concentrating hormone 1 receptor (MCH-1R) antagonists. Our focus was directed toward improvement of hERG activity and metabolic stability. The representative derivative 4b showed potent and dose-dependent body weight reduction in diet-induced obese (DIO) C57BL/6J mice after oral administration. The synthesis

  铅2a的优化导致鉴定了一种新型的二芳基酮肟类黑色素浓缩激素1受体（MCH-1R）拮抗剂。我们的重点是提高hERG活性和代谢稳定性。代表性的衍生物4b在口服给药后，在饮食诱导的肥胖（DIO）C57BL / 6J小鼠中显示出有效且剂量依赖性的体重降低。描述了新型二芳基酮肟MCH-1R拮抗剂的合成及其构效关系。