(S)-(5-(((5-chloropyridin-2-yl)amino)methyl)-6-azaspiro[2.5]octan-6-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone | 1262395-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (S)-(5-(((5-chloropyridin-2-yl)amino)methyl)-6-azaspiro[2.5]octan-6-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone
• 英文别名: (5(S)-(((5-chloropyridin-2-yl)amino)methyl)-6-azaspiro[2.5]octan-6-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone；[(7S)-7-[[(5-chloropyridin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
• CAS: 1262395-09-4
• 化学式: C₂₅H₂₆ClN₅O
• 分子量: 447.967
• InChiKey: GIZFHOZRPSFWCQ-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5(S)-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylic acid tert-butylester 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 1,1-二氯乙烷 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 20.0h， 生成 (S)-(5-(((5-chloropyridin-2-yl)amino)methyl)-6-azaspiro[2.5]octan-6-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone
  参考文献：
  名称：

  [EN] SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION
  [FR] COMPOSÉS SPIRO-AMINIQUES CONVENANT AU TRAITEMENT, NOTAMMENT, DES TROUBLES DU SOMMEIL ET DE LA PHARMACODÉPENDANCE

  摘要：

  本发明涉及一种式(Vl)的螺环氨基化合物，其中m为1或2或3，n为1或2，R选自5-或6-成环的芳香环和5-或6-成环的杂芳香环，包含1至3个选自S、O和N的杂原子，该环被1个或2个选自(C1-C3)烷基、卤素、(C3-C5)环烷基氧基、(C1-C3)烷基羰基、可选地用1个或多个卤素原子取代的苯基、至少含有一个氮原子的5-或6-成环杂环所取代；P是取代基Q或COQ，其中Q选自苯基、吡啶基、嘧啶基、喹啉基、异喹啉基、喹喔啉基、苯并呋喃基、咪唑三唑基，该Q可选项地被1个或多个选自(C1-C3)烷基、卤素、三氟甲基、碳酰胺、甲基碳酰胺、羧基、甲基羧基的取代基所取代，或其药用可接受盐。

  公开号：

  WO2011006960A1

文献信息

• Spiro aminic compounds with NK1 antagonist activity
  申请人：ROTTAPHARM S.P.A.

  公开号：EP2484674A1

  公开（公告）日：2012-08-08

  The invention concerns a spiro-amino compound of Formula (I), wherein A is selected from a 5- or 6-membered aromatic ring and a 5- or 6-membered heteroaromatic ring containing 1 to 3 nitrogen atom; X is a substituent selected from the group consisting of (C1-C3)alkyl and halogen, Y is a substituent selected from the group consisting of halogen and trifluoromethyl or a pharmaceutically acceptable salt thereof for use in the treatment of pathologies which require an antagonist of the NK1 receptor.

  本发明涉及一种Formula (I)的螺环氨基化合物，其中A选自5-或6-成员芳香环和含1至3个氮原子的5-或6-成员杂芳环；X是从（C1-C3）烷基和卤素组成的取代基，Y是从卤素和三氟甲基或其药学上可接受的盐的取代基中选择，用于治疗需要NK1受体拮抗剂的病理学。
• [EN] SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY<br/>[FR] COMPOSÉS SPIRO-AMINÉS À UNE ACTIVITÉ ANTAGONISTE DE NK1
  申请人：ROTTAPHARM SPA

  公开号：WO2012104338A1

  公开（公告）日：2012-08-09

  The invention concerns a spiro-amino compound of Formula (I), wherein A is selected from a 5- or 6-membered aromatic ring and a 5- or 6-membered heteroaromatic ring containing 1 to 3 nitrogen atom; X is a substituent selected from the group consisting of (C1-C3)alkyl and halogen, Y is a substituent selected from the group consisting of halogen and trifluoromethyl or a pharmaceutically acceptable salt thereof for use in the treatment of pathologies which require an antagonist of the NK1 receptor.

  本发明涉及一种公式(I)的螺环氨基化合物，其中A选自含有1至3个氮原子的5-或6成员芳香环和5-或6成员杂芳香环；X是从(C1-C3)烷基和卤素组成的取代基，Y是从卤素和三氟甲基或其药学上可接受的盐的取代基中选择的，用于治疗需要NK1受体拮抗剂的病理学。
• SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY
  申请人：Stasi Luigi Piero

  公开号：US20130310400A1

  公开（公告）日：2013-11-21

  The invention concerns a spiro-amino compound of Formula (I), wherein A is selected from a 5- or 6-membered aromatic ring and a 5- or 6-membered heteroaromatic ring containing 1 to 3 nitrogen atom; X is a substituent selected from the group consisting of (C 1 -C 3 )alkyl and halogen, Y is a substituent selected from the group consisting of halogen and trifluoromethyl or a pharmaceutically acceptable salt thereof for use in the treatment of pathologies which require an antagonist of the NK1 receptor.

  本发明涉及一种公式(I)的螺环氨基化合物，其中A选自含有1至3个氮原子的5或6元芳香环和5或6元杂芳香环，X是从(C1-C3)烷基和卤素组成的取代基，Y是从卤素和三氟甲基或其药学上可接受的盐所选的取代基，用于治疗需要NK1受体拮抗剂的病理学。
• SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION
  申请人：Stasi Luigi Piero

  公开号：US20120115882A1

  公开（公告）日：2012-05-10

  A spiro-amino compound of Formula (VI) wherein m is 1 or 2 or 3, n is 1 or 2, R is selected from a 5- or 6-membered aromatic ring and a 5- or 6-membered heteroaromatic ring comprising 1 to 3 heteroatoms selected from S, O and N, such ring being substituted with one or two substituents selected from the group consisting of (C 1 -C 3 )alkyl, halogen, (C 3 -C 5 )cycloalkyloxy, (C 1 -C 3 )alkylcarbonyl, phenyl optionally substituted with one or more halogen atoms, a 5- or 6-membered heterocycle comprising at least one nitrogen atom; P is a substituent Q or COQ, wherein Q is selected from the group consisting of phenyl, pyridyl, pyrimidyl, quinolyl, isoquinolyl, quinoxalyl, benzofuranyl, imidazotriazolyl, being such Q optionally substituted with one or more substituents selected from the group consisting of (C 1 -C 3 )alkyl, halogen, trifluoromethyl, carbammido, methylcarbammido, carboxy, methylcarboxy or a pharmaceutically acceptable salt thereof.

  式（VI）的螺环氨基化合物，其中m为1或2或3，n为1或2，R从5或6成员芳香环和5或6成员杂芳香环中选择，该环包含1到3个从S，O和N中选择的杂原子，该环被1或2个取代基所取代，所述取代基选择自(C1-C3)烷基，卤素，(C3-C5)环烷氧基，(C1-C3)烷基羰基，苯基，该苯基可选择一个或多个卤素原子进行取代，以及一种包含至少一个氮原子的5或6成员杂环；P是取代基Q或COQ，其中Q从苯基，吡啶基，嘧啶基，喹啉基，异喹啉基，喹嗪基，苯并呋喃基，咪唑三唑基中选择，所述Q可选择一个或多个取代基进行取代，所述取代基选择自(C1-C3)烷基，卤素，三氟甲基，氨基甲酰基，甲基氨基甲酰基，羧基，甲基羧基或其药学上可接受的盐。
• Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction
  申请人：Stasi Luigi Piero

  公开号：US08859608B2

  公开（公告）日：2014-10-14

  A spiro-amino compound of Formula (VI) wherein m is 1 or 2 or 3, n is 1 or 2, R is selected from a 5- or 6-membered aromatic ring and a 5- or 6-membered heteroaromatic ring comprising 1 to 3 heteroatoms selected from S, O and N, such ring being substituted with one or two substituents selected from the group consisting of (C1-C3)alkyl, halogen, (C3-C5)cycloalkyloxy, (C1-C3)alkylcarbonyl, phenyl optionally substituted with one or more halogen atoms, a 5- or 6-membered heterocycle comprising at least one nitrogen atom; P is a substituent Q or COQ, wherein Q is selected from the group consisting of phenyl, pyridyl, pyrimidyl, quinolyl, isoquinolyl, quinoxalyl, benzofuranyl, imidazotriazolyl, being such Q optionally substituted with one or more substituents selected from the group consisting of (C1-C3)alkyl, halogen, trifluoromethyl, carbammido, methylcarbammido, carboxy, methylcarboxy or a pharmaceutically acceptable salt thereof.

  式（VI）的螺环氨基化合物，其中m为1或2或3，n为1或2，R选自一个含有1到3个S、O和N杂原子的5-或6元芳香环和5-或6元杂芳香环，该环被一个或两个取代基所取代，所述取代基选自以下群体：（C1-C3）烷基，卤素，（C3-C5）环烷氧基，（C1-C3）烷基羰基，苯基（可选地取代一个或多个卤素原子），含有至少一个氮原子的5-或6元杂环；P是取代基Q或COQ，其中Q选自苯基，吡啶基，嘧啶基，喹啉基，异喹啉基，喹嗪基，苯并呋喃基，咪唑三唑基，所述Q可选地被一个或多个取代基所取代，所述取代基选自以下群体：（C1-C3）烷基，卤素，三氟甲基，氨基甲酰基，甲基氨基甲酰基，羧基，甲基羧基或其药学上可接受的盐。