1-(苄氧基羰基)-4-(1-羟基-1-甲基乙基)哌啶 | 160809-39-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(苄氧基羰基)-4-(1-羟基-1-甲基乙基)哌啶
• 英文名称: benzyl 4-(1-hydroxy-1-methylethyl)piperidine-1-carboxylate
• 英文别名: 1-(benzyloxycarbonyl)-4-(1-hydroxy-1-methylethyl)piperidine；benzyl 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
• CAS: 160809-39-2
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.364
• InChiKey: UTABSWGZXCUVOS-UHFFFAOYSA-N

物化性质

• 沸点：
  408.3±28.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(苄氧基羰基)-4-(1-羟基-1-甲基乙基)哌啶 在 钯 氮气 、 氢气 、 甲醇 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以to yield the title compound (922 mg, 6.44 mmol, quantitative) as pale gray crystals的产率得到2-(4-哌啶基)-2-丙醇
  参考文献：
  名称：

  Nitrogen-containing aromatic derivatives

  摘要：

  该化合物的通式为：其中X1代表氮原子或由公式—CR10═表示的基团；X2代表氮原子或由公式—CR11═表示的基团；Y代表氧原子或类似物；R1代表C1-6烷氧基、可选取代的C6-10芳基氧基、由公式—NR12aR12b表示的基团或类似物；R2代表氢原子、可选取代的C1-6烷基或类似物；R3、R4、R5、R6、R7、R8、R10和R11各自独立地代表氢原子、卤素原子、可选取代的C1-6烷基或类似物；R9代表由公式—NR16aR16b表示的基团或类似物；R12a、R12b、R16a和R16b各自独立地代表氢原子、可选取代的C1-6烷基或类似物，其盐或上述物质的水合物。

  公开号：

  US20050187236A1
• 作为产物：
  描述：

  甲基氯化镁 、 1-Cbz-哌啶-4-甲酸乙酯 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 以71%的产率得到1-(苄氧基羰基)-4-(1-羟基-1-甲基乙基)哌啶
  参考文献：
  名称：

  AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS

  摘要：

  本发明涉及作为Aurora蛋白激酶抑制剂的化合物。该发明还提供包含这些化合物的药用可接受组合物，以及在治疗各种疾病、状况和障碍中使用这些化合物和组合物的方法。该发明还提供了制备本发明化合物的方法。

  公开号：

  US20100137305A1

文献信息

• FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF
  申请人：SHANGHAI YINGLI PHARMACEUTICAL CO., LTD

  公开号：US20160214994A1

  公开（公告）日：2016-07-28

  Disclosed are a fused pyrimidine compound, an intermediate, a preparation method therefor, and a composition and an application thereof. The present invention provides a fused pyrimidine compound shown in formula I, pharmaceutically acceptable salt, hydrate, solvate, and an optical isomer or prodrug of the compound. The present invention further provides applications of the fused pyrimidine compound shown in formula I, the pharmaceutically acceptable salt, the hydrate, solvate, and the optical isomer or the prodrug of the compound in the preparing drugs for curing and/or preventing a kinase-related disease. The fused pyrimidine compound I of the present invention is an efficient PI3 kinase depressor, and can be used to prepare drugs for preventing and/or curing cell-proliferation diseases such as cancer, infection, inflammation, and an autoimmune disease.

  揭示了一种融合嘧啶化合物，其中间体，制备方法以及其组成和应用。本发明提供了一种如式I所示的融合嘧啶化合物，该化合物的药用可接受盐，水合物，溶剂合物，以及光学异构体或前药。本发明还提供了应用式I所示的融合嘧啶化合物，药用可接受盐，水合物，溶剂合物，以及该化合物的光学异构体或前药在制备用于治疗和/或预防激酶相关疾病的药物中。本发明的融合嘧啶化合物I是一种高效的PI3激酶抑制剂，可用于制备用于预防和/或治疗细胞增殖性疾病，如癌症，感染，炎症和自身免疫疾病的药物。
• [EN] BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE<br/>[FR] COMPOSÉS PYRIMIDINES BICYCLIQUES INHIBITEURS DE PI3K SÉLECTIFS POUR P110 DELTA, ET PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2010138589A1

  公开（公告）日：2010-12-02

  Formula (I) ((Ia) and (Ib)) compounds wherein (i) X1 is N and X2 is S, (ii) X1 is CR7 and X2 is S, (iii) X1 is N and X2 is NR2, or (iv) X1 is CR7 and X2 is O, including stereoisomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological, and cancer. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式（I）（（Ia）和（Ib））化合物，其中（i）X1为N且X2为S，（ii）X1为CR7且X2为S，（iii）X1为N且X2为NR2，或（iv）X1为CR7且X2为O，包括其立体异构体，互变异构体，代谢物和药用可接受盐，用于抑制PI3K的δ异构体，并用于治疗由脂质激酶介导的疾病，如炎症，免疫和癌症。公开了使用公式（I）化合物进行体外，体内和体内诊断，预防或治疗哺乳动物细胞中的这类疾病或相关病理状况的方法。
• Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use
  申请人：Genentech, Inc.

  公开号：US08173650B2

  公开（公告）日：2012-05-08

  Formula I (Ia and Ib) compounds wherein (i) X1 is N and X2 is S, (ii) X1 is CR7 and X2 is S, (iii) X1 is N and X2 is NR2, or (iv) X1 is CR7 and X2 is O, including stereoisomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I（Ia和Ib）化合物，其中（i）X1为N且X2为S，（ii）X1为CR7且X2为S，（iii）X1为N且X2为NR2，或（iv）X1为CR7且X2为O，包括立体异构体，互变异构体，代谢物和其药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病如炎症，免疫和癌症等有用。公开了使用Formula I化合物的方法，用于哺乳动物细胞中体外，体内和原位诊断，预防或治疗此类疾病或相关病理条件。
• BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE
  申请人：Castanedo Georgette

  公开号：US20120178736A1

  公开（公告）日：2012-07-12

  Formula I (Ia and Ib) compounds wherein (i) X 1 is N and X 2 is S, (ii) X 1 is CR 7 and X 2 is S, (iii) X 1 is N and X 2 is NR 2 , or (iv) X 1 is CR 7 and X 2 is 0, including stereoisomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I（Ia和Ib）化合物中，其中（i）X1为N且X2为S，（ii）X1为CR7且X2为S，（iii）X1为N且X2为NR2，或（iv）X1为CR7且X2为0，包括立体异构体，互变异构体，代谢物和药学上可接受的盐，有用于抑制PI3K的δ异构体，并用于治疗由脂质激酶介导的疾病，例如炎症，免疫和癌症。公开了使用Formula I化合物的方法，用于哺乳动物细胞中的体外，体内和原位诊断，预防或治疗此类疾病或相关病理条件。
• N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity
  申请人：ZENECA LIMITED

  公开号：EP0625509A1

  公开（公告）日：1994-11-23

  The present invention concerns the novel alkyl substituted heterocycles of formula I, set out below, wherein Q, Q¹, Q² and R have the values defined herein, which antagonize the pharmacological actions of one of the endogenous neuropeptide tachykinins at the neurokinin 2 (NK2) receptor making them useful whenever such antagonism is desired, such as in the treatment of asthma and related conditions. The invention also provides pharmaceutical compositions containing the alkyl substituted heterocycles for use in such treatment, methods for their use, and processes and novel intermediates for their manufacture.

  本发明涉及下式 I 的新型烷基取代杂环，其中 Q、Q¹、Q² 和 R 具有本文所定义的值，该杂环可拮抗内源性神经肽之一速激肽在神经激肽 2 (NK2) 受体上的药理作用，使其在需要这种拮抗作用时非常有用，例如在治疗哮喘和相关疾病时。本发明还提供了用于此类治疗的含有烷基取代杂环的药物组合物、使用方法以及生产工艺和新型中间体。