1’-BOC-5-氟-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶] | 866028-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1’-BOC-5-氟-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶]
• 中文别名: 1'-BOC-5-氟-1,2-二氢-2-氧代-螺[3H-吲哚-3,4'-哌啶]
• 英文名称: tert-butyl 5-fluoro-2-oxospiro[indoline-3,4’-piperidine]-1’-carboxylate
• 英文别名: tert-butyl 5-fluoro-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate；tert-butyl 5-fluoro-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-carboxylate；1'-Boc-5-fluoro-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]；tert-butyl 5-fluoro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
• CAS: 866028-06-0
• 化学式: C₁₇H₂₁FN₂O₃
• 分子量: 320.364
• InChiKey: XKVSTTHNVBKSHX-UHFFFAOYSA-N

物化性质

• 沸点：
  473.6±45.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1’-BOC-5-氟-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶] 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 异丙醇 为溶剂， 反应 20.5h， 生成 5-fluoro-1'-(6-chloropyridazin-3-yl)spiro[indole-3,4'-piperidin]-2(1H)-one
  参考文献：
  名称：

  Spiro-oxindole Piperidines and 3-(Azetidin-3-yl)-1H-benzimidazol-2-ones as mGlu₂ Receptor PAMs

  摘要：

  Starting from two weak mGlu(2) receptor positive allosteric modulator (PAM) HTS hits (4 and 5), a molecular hybridization strategy resulted in the identification of a novel spiro-oxindole piperidine series with improved activity and metabolic stability. Scaffold hopping around the spiro-oxindole core identified the 3(azetidin-3-yl)-1H-benzimidazol-2-one as bioisoster. Medicinal chemistry optimization of these two novel chemotypes resulted in the identification of potent, selective, orally bioavailable, and brain penetrant mGluR(2) PAMs.

  DOI：

  10.1021/acsmedchemlett.9b00350
• 作为产物：
  描述：

  5-氟吲哚-2-酮 、 N,N-双(2-氯乙基)氨基甲酸叔丁酯 在 lithium hexamethyldisilazane 作用下， 反应 1.0h， 以7%的产率得到1’-BOC-5-氟-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶]
  参考文献：
  名称：

  [EN] RSV ANTIVIRAL COMPOUNDS
  [FR] COMPOSÉS ANTIVIRAUX CONTRE LE VRS

  摘要：

  RSV复制抑制剂的公式RI包括立体化学同分异构体形式，以及其盐或溶剂合物，其中R22、W、Q、V、Z、p、s和Het的含义如本文所定义。本发明还涉及制备所述化合物的方法，含有它们的药物组合物以及它们在RSV治疗中单独或与其他RSV抑制剂结合使用的用途。

  公开号：

  WO2014060411A1

文献信息

• [EN] INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1<br/>[FR] INHIBITEURS DE LA 11?-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE 1
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2009108332A1

  公开（公告）日：2009-09-03

  This invention relates to novel compounds of the Formulae I or II and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof which are useful for the therapeutic treatment of diseases associated with the modulation or inhibition of 11 β-HSD l in mammals.Formula (I).

  这项发明涉及到式I或II的新化合物及其药用盐，以及与之相关的药物组合物，用于治疗与哺乳动物中11β-HSD l的调节或抑制相关的疾病。Formula (I)。
• [EN] RSV ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX CONTRE LE VRS
  申请人：JANSSEN R & D IRELAND

  公开号：WO2014060411A1

  公开（公告）日：2014-04-24

  Inhibitors of RSV replication of formula RI including stereochemically isomeric forms, and salts or solvates thereof, wherein R22, W, Q, V, Z p,s,and Het have the meaning as defined herein. The present invention also relates to processes for preparing said compounds, pharmaceutical compositions containing them and their use, alone or in combination with other RSV inhibitors, in RSV therapy.

  RSV复制抑制剂的公式RI包括立体化学同分异构体形式，以及其盐或溶剂合物，其中R22、W、Q、V、Z、p、s和Het的含义如本文所定义。本发明还涉及制备所述化合物的方法，含有它们的药物组合物以及它们在RSV治疗中单独或与其他RSV抑制剂结合使用的用途。
• [EN] SPIROHETEROCYCLIC DERIVATIVES AS CRHR2 ANTAGONIST<br/>[FR] DÉRIVÉS SPIROHÉTÉROCYCLIQUES UTILISÉS COMME ANTAGONISTES DE CRHR2
  申请人：RAQUALIA PHARMA INC

  公开号：WO2021145401A1

  公开（公告）日：2021-07-22

  The present invention relates to spiroheterocyclic derivatives which have antagonistic activities against CRHR2, and which are useful in the treatment or prevention of disorders and diseases in which CRHR2 is involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CRHR2 is involved.

  本发明涉及对CRHR2具有拮抗活性的螺环杂环衍生物，用于治疗或预防涉及CRHR2的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CRHR2的疾病中使用这些化合物和组合物。
• Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists
  申请人：Hashizume Yoshinobu

  公开号：US20050277659A1

  公开（公告）日：2005-12-15

  This invention provides the compounds of formula (I): or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof, wherein R 1 and R 2 independently represent a hydrogen atom or the like; R 3 represents an aryl group having from 6 to 10 ring atoms or the like; X represents an oxygen atom, or the like; Y represents an oxygen atom or the like; and n represents an integer 0, 1 or 2. These compounds have ORL 1 -receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

  本发明提供了式（I）的化合物：或其药学上可接受的酯，或其药学上可接受的盐，其中R1和R2分别独立地表示氢原子或类似物；R3表示具有6至10个环原子或类似物的芳基基团；X表示氧原子或类似物；Y表示氧原子或类似物；n表示整数0、1或2。这些化合物具有ORL1受体拮抗活性；因此，它们可用于治疗疾病或病症，例如疼痛，各种中枢神经系统疾病等。
• Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as orl1-receptor antagonists
  申请人：Hashizume Yoshinobu

  公开号：US20070197500A1

  公开（公告）日：2007-08-23

  This invention provides the compounds of formula (I): or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof, wherein R 1 and R 2 independently represent a hydrogen atom or the like; R 3 represents a hydrogen atom, or the like; R 4 represents a hydrogen atom or the like; (formula II) represents one of the following or the like; R 5 represents an aryl group having from 6 to 10 ring atoms or the like; X represents an oxygen atom, or the like; Y represents an oxygen atom or the like and n represents an integer 0, 1 or 2. These compounds have ORL1-receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

  本发明提供了以下化合物的公式(I)、其药学上可接受的酯或其药学上可接受的盐，其中R1和R2独立地表示氢原子或类似物；R3表示氢原子或类似物；R4表示氢原子或类似物；(公式II)代表以下之一或类似物；R5表示具有6至10个环原子的芳基基团或类似物；X表示氧原子或类似物；Y表示氧原子或类似物，n表示整数0、1或2。这些化合物具有ORL1受体拮抗活性；因此，它们对于治疗疾病或症状，如疼痛、各种中枢神经系统疾病等非常有用。