N-[(3s)-1-(3-氨基-4-吡啶)-3-哌啶基]氨基甲酸1,1-二甲基乙酯 | 1023298-99-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-[(3s)-1-(3-氨基-4-吡啶)-3-哌啶基]氨基甲酸1,1-二甲基乙酯
• 英文名称: (S)-tert-butyl 1-(3-aminopyridin-4-yl)piperidin-3-ylcarbamate
• 英文别名: tert-butyl [(3S)-1-(3-aminopyridin-4-yl)piperidin-3-yl]carbamate；(S)-tert-Butyl (1-(3-aminopyridin-4-yl)piperidin-3-yl)carbamate；tert-butyl N-[(3S)-1-(3-aminopyridin-4-yl)piperidin-3-yl]carbamate
• CAS: 1023298-99-8
• 化学式: C₁₅H₂₄N₄O₂
• 分子量: 292.381
• InChiKey: BDLWVTWKNLOFBM-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  80.5
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  N-[(3s)-1-(3-氨基-4-吡啶)-3-哌啶基]氨基甲酸1,1-二甲基乙酯 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 异丁酰胺 、 1-羟基苯并三唑 、 1,2-二氯乙烷 、 三乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 16.25h， 生成 tert-butyl (S)-(1-(3-(3-amino-6-(2-chlorophenyl)picolinamido)pyridin-4-yl)piperidin-3-yl)carbamate
  参考文献：
  名称：

  Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors

  摘要：

  Proviral insertion of Moloney virus (PIM) 1, 2, and 3 kinases are serine/threonine kinases that normally function in survival and proliferation of hematopoietic cells. As high expression of PIM1, 2, and 3 is frequently observed in many human malignancies, including multiple myeloma, non Hodgkins lymphoma, and myeloid leukemias, there is interest in determining whether selective PIM1 inhibition can improve outcomes of these human cancers. Herein, we describe our efforts toward this goal. The structure guided optimization of a singleton high throughput screening hit in which the potency against all three PIM isoforms was increased >10,000 fold to yield compounds with pan PIM K(i)s < 10 pM, nanomolar cellular potency, and in vivo activity in an acute myeloid leukemia Pun dependent tumor model is described.

  DOI：

  10.1021/ml400307j
• 作为产物：
  描述：

  (S)-3-Boc-氨基哌啶 在 铁粉 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 水 、 正丁醇 为溶剂， 反应 4.0h， 生成 N-[(3s)-1-(3-氨基-4-吡啶)-3-哌啶基]氨基甲酸1,1-二甲基乙酯
  参考文献：
  名称：

  BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS

  摘要：

  本公开描述了双环芳香羧酰胺衍生物，以及它们的组成物和使用方法。这些化合物抑制Pim激酶的活性，并且在治疗与Pim激酶活性相关的疾病方面具有用处，例如癌症和其他疾病。

  公开号：

  US20140200216A1

文献信息

• Heterocyclic Kinase Inhibitors
  申请人：Burger Matthew

  公开号：US20110195956A1

  公开（公告）日：2011-08-11

  New compounds, compositions and methods of inhibition of Provirus Integration of Maloney Kinase (PIM kinase) activity associated with tumorigenesis in a human or animal subject are provided. In certain embodiments, the compounds and compositions are effective to inhibit the activity of at least one PIM kinase. The new compounds and compositions may be used either alone or in combination with at least one additional agent for the treatment of a serine/threonine kinase- or receptor tyrosine kinase-mediated disorder, such as cancer.

  提供了一种新的化合物、组合物和抑制与人类或动物宿主肿瘤发生相关的莫洛尼激酶（PIM激酶）活性的方法。在某些实施例中，该化合物和组合物有效抑制至少一种PIM激酶的活性。新的化合物和组合物可以单独使用，也可以与至少一种其他试剂联合使用，用于治疗由丝氨酸/苏氨酸激酶或受体酪氨酸激酶介导的疾病，如癌症。
• FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS
  申请人：Incyte Corporation

  公开号：US20150057265A1

  公开（公告）日：2015-02-26

  The present disclosure describes furo- and thieno-pyridine carboxamide compounds, as well as their compositions and methods of use. The compounds inhibit the activity of the Pim kinases, and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.

  本公开描述了呋喃和噻吩吡啶羧酰胺化合物，以及它们的组合物和使用方法。这些化合物抑制Pim激酶的活性，并且在治疗与Pim激酶活性相关的疾病方面具有用处，例如癌症和其他疾病。
• 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE
  申请人：Wang Xiaojing

  公开号：US20110059961A1

  公开（公告）日：2011-03-10

  The invention relates to compounds of formula (I) which are useful as kinase inhibitors, more specifically useful as PIM kinase inhibitors, thus useful as cancer therapeutics. The invention also relates to compositions, more specifically pharmaceutical compositions comprising these compounds and methods of using the same, either alone or in combination, to treat various forms of cancer and hyperproliferative disorders, as well as methods of using the compounds for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  这项发明涉及到式(I)的化合物，这些化合物可用作激酶抑制剂，更具体地用作PIM激酶抑制剂，因此可用作癌症治疗药物。该发明还涉及到包括这些化合物的组合物，更具体地是包括这些化合物的药物组合物，以及使用这些组合物的方法，无论是单独使用还是结合使用，用于治疗各种癌症和高增殖性疾病，以及使用这些化合物进行体外、体内和体内诊断或治疗哺乳动物细胞或相关病理条件的方法。
• [EN] PIM KINASE INHIBITORS AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE PIM KINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2009109576A1

  公开（公告）日：2009-09-11

  The present invention relates to new compounds of Formulas (I) and (II), their tautomers, stereoisomers and polymorphs, and pharmaceutically acceptable salts, esters, metabolites or prodrugs thereof, compositions of the new compounds together with pharmaceutically acceptable carriers, and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the inhibition of Pirn kinase activity and/or the prophylaxis or treatment of cancer.

  本发明涉及公式（I）和（II）的新化合物，它们的互变异构体、立体异构体和多型体，以及其药学上可接受的盐、酯、代谢物或前药，新化合物与药学上可接受的载体的组合物，以及新化合物的用途，单独或与至少一种额外治疗剂联合使用，用于抑制Pirn激酶活性和/或预防或治疗癌症。
• Pim kinase inhibitors and methods of their use
  申请人：Burger Matthew

  公开号：US20100216839A1

  公开（公告）日：2010-08-26

  The present invention relates to new compounds of Formulas I and II, their tautomers, stereoisomers and polymorphs, and pharmaceutically acceptable salts, esters, metabolites or prodrugs thereof, compositions of the new compounds together with pharmaceutically acceptable carriers, and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the inhibition of Pim kinase activity and/or the prophylaxis or treatment of cancer.

  本发明涉及公式I和II的新化合物，它们的互变异构体、立体异构体和多晶形态，以及其药学上可接受的盐、酯、代谢物或前药，新化合物与药学上可接受的载体的组合物，以及新化合物的用途，单独或与至少一种额外治疗剂联合使用，在抑制Pim激酶活性和/或预防或治疗癌症方面。