2,8-二氮杂螺[4.5]癸烷-8-羧酸 1,1-二甲基乙酯盐酸盐 | 851325-42-3

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 中文名称: 2,8-二氮杂螺[4.5]癸烷-8-羧酸 1,1-二甲基乙酯盐酸盐
• 中文别名: 2,8-二氮杂螺[4.5]癸烷-8-羧酸1,1-二甲基乙酯盐酸盐
• 英文名称: tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate hydrochloride
• 英文别名: 2,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester hydrochloride；tert-Butyl 2,8-diazaspiro[4.5]decane-8-carboxylate hydrochloride；tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
• CAS: 851325-42-3
• 化学式: C₁₃H₂₄N₂O₂*ClH
• 分子量: 276.807
• InChiKey: WZWUCNJUMVSAJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 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：

  2,8-二氮杂螺[4.5]癸烷-8-羧酸 1,1-二甲基乙酯盐酸盐 在 盐酸 、 palladium on activated charcoal 、 氢气 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 25.08h， 生成 (4-isopropylpiperazin-1-yl)(8-(tetrahydro-2H-pyran-4-yl)-2,8-diazaspiro[4.5]decan-2-yl)methanone
  参考文献：
  名称：

  Discovery of Spirofused Piperazine and Diazepane Amides as Selective Histamine-3 Antagonists with in Vivo Efficacy in a Mouse Model of Cognition

  摘要：

  A new series of potent and selective histamine-3 receptor (H3R) antagonists was identified on the basis of an azaspiro[2.5]octane carboxamide scaffold. Many scaffold modifications were largely tolerated, resulting in nanomolar-potent compounds in the H3R functional assay. Exemplar compound 6s demonstrated a selective profile against a panel of 144 secondary pharmacological receptors, with activity at only sigma 2 (62% at 10 mu M). Compound 6s demonstrated free-plasma exposures above the IC50 (similar to 50x) with a brain-to-plasma ratio of similar to 3 following intravenous dosing in mice. At three doses tested in the mouse novel object recognition model (1, 3, and 10 mg/kg s.c.), 6s demonstrated a statistically significant response compared with the control group. This series represents a new scaffold of H-3 receptor antagonists that demonstrates in vivo exposure and efficacy in an animal model of cognition.

  DOI：

  10.1021/jm4014828

文献信息

• [EN] NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES<br/>[FR] NOUVEAUX DIAZASPIROALCANES ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES INDUITES PAR CCR8
  申请人：ASTRAZENECA AB

  公开号：WO2005040167A1

  公开（公告）日：2005-05-06

  The invention provides compounds of general formula. wherein A, B, W, X, Y, Z, D, E, R1 and n are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  该发明提供了一般式化合物。其中A、B、W、X、Y、Z、D、E、R1和n的定义如规范中所述，以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的应用。
• [EN] HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE<br/>[FR] MODULATEURS D'AMIDE D'ACIDE GRAS HYDROLASE DE TYPE DIAMINE URÉE SPIROCYCLIQUE SUBSTITUÉE PAR UN GROUPE HÉTÉROARYLE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010141817A1

  公开（公告）日：2010-12-09

  Certain heteroaryl-substituted spirocyclic diamine urea compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, energy metabolism disorders, and movement disorders (e.g., multiple sclerosis).

  描述了某些杂环取代的螺环二胺脲化合物，这些化合物可用作FAAH抑制剂。这些化合物可用于制药组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态、紊乱和条件的方法，如焦虑、疼痛、炎症、睡眠紊乱、进食紊乱、能量代谢紊乱和运动紊乱（例如多发性硬化）。
• Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases
  申请人：Bladh Håkan

  公开号：US20070249648A1

  公开（公告）日：2007-10-25

  The invention provides compounds of general formula. wherein A, B, W, X, Y, Z, D, E, R1 and n are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了通式为的化合物。其中A、B、W、X、Y、Z、D、E、R1和n的定义如说明书中所述，以及它们的制备方法、含有它们的药物组合物和它们在治疗中的用途。
• HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE
  申请人：Breitenbucher J. Guy

  公开号：US20120083476A1

  公开（公告）日：2012-04-05

  Certain heteroaryl-substituted spirocyclic diamine urea compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, energy metabolism disorders, and movement disorders (e.g., multiple sclerosis).

  本文描述了某些杂环取代的螺环二胺尿素化合物，可用作FAAH抑制剂。这些化合物可用于药物组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态，失调和情况的方法，例如焦虑，疼痛，炎症，睡眠障碍，进食障碍，能量代谢障碍和运动障碍（例如多发性硬化）。
• IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150210697A1

  公开（公告）日：2015-07-30

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The Formula (I) imidazotriazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  该发明提供了式(I)化合物及其药学上可接受的盐。式(I)咪唑三嗪抑制蛋白激酶活性，因此使它们作为抗癌剂有用。