(S)-tert-Butyl (1-amino-1-oxopentan-2-yl)carbamate | 367268-12-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-tert-Butyl (1-amino-1-oxopentan-2-yl)carbamate
• 英文别名: tert-butyl N-[(2S)-1-amino-1-oxopentan-2-yl]carbamate
• CAS: 367268-12-0
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: PLSVEHCDSMTWCP-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-tert-Butyl (1-amino-1-oxopentan-2-yl)carbamate 在 硼烷四氢呋喃络合物 作用下， 生成 ((S)-1-aminomethyl-butyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Benzothiophene inhibitors of MK2. Part 1: Structure–activity relationships, assessments of selectivity and cellular potency

  摘要：

  Identification of potent benzothiophene inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2), structure-activity relationship (SAR) studies, selectivity assessments against CDK2, cellular potency and mechanism of action are presented. Crystallographic data provide a rationale for the observed MK2 potency as well as selectivity over CDK2 for this class of inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.015
• 作为产物：
  描述：

  N-tert-butoxycarbonyl-L-norvaline 在 N,N'-羰基二咪唑 、 ammonium hydroxide 作用下， 以 乙酸乙酯 为溶剂， 生成 (S)-tert-Butyl (1-amino-1-oxopentan-2-yl)carbamate
  参考文献：
  名称：

  CO2 介导的烯酰胺异构化

  摘要：

  在此，报道了烯酰胺的选择性且有效的CO 2介导的Z至E异构化。值得注意的是，CO 2充当形成关键反应中间体的促进剂。该方案提供了一种在温和条件下选择性异构化烯酰胺的新方法，具有中等至优异的产率。该方法具有广泛的底物范围，包括生物相关分子的后期修饰。通过循环伏安法 (CV) 和密度泛函理论 (DFT) 计算得出的机理见解提供了证据，证明中间体通过非常规的 C 中心模式促进了反应。

  DOI：

  10.1039/d4gc01238k

文献信息

• Chiral intermediates for the preparation of peptidomimetic protease inhibitors
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1876173A1

  公开（公告）日：2008-01-09

  The present application relates to intermediate compounds according to formula (24,25,26 and 27) for the preparation of peptidomimetic compounds which are useful as protease inhibitors: wherein is optionally substituted fused arylcycloalkyl; R11 is -CO2R13; R12 is iminic glycinimide derivative adduct; and R13 is acid protecting group or optionally substituted aliphatic group. wherein: R15 is optionally substituted aliphatic group; and R16 is acid protecting group, optionally substituted aryl, or optionally substituted aliphatic group. wherein: p° is amide protecting group;

  本申请涉及中间化合物，其化学式为（24、25、26和27），用于制备肽类模拟化合物，这些化合物可用作蛋白酶抑制剂： 其中，X是可选取代的融合芳基环烷基；R11是-CO2R13；R12是亚胺基甘氨酰亚胺衍生物加合物；R13是酸保护基或可选取代的脂肪基。 其中，R15是可选取代的脂肪基；R16是酸保护基、可选取代的芳基或可选取代的脂肪基。 其中，p°是酰胺保护基。
• 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases
  申请人：Hoffmann-La Roche Inc.

  公开号：US11021448B2

  公开（公告）日：2021-06-01

  The present invention provides compounds that are muscarinic M1 receptor positive allosteric modulators (PAM) and useful in the treatment of diseases, mediated by the muscarinic M1 receptor, such as Alzheimer's disease, cognitive impairment, schizophrenia, pain or sleep disorders, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances.

  本发明提供的化合物是毒蕈碱 M1 受体正性异位调节剂 (PAM)，可用于治疗由毒蕈碱 M1 受体介导的疾病，如阿尔茨海默氏症、认知障碍、精神分裂症、疼痛或睡眠障碍；本发明还提供了这些化合物的制造方法、含有这些化合物的药物组合物及其作为治疗活性物质的用途。
• 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20190256478A1

  公开（公告）日：2019-08-22

  The present invention provides compounds that are muscarinic M1 receptor positive allosteric modulators (PAM) and useful in the treatment of diseases, mediated by the muscarinic M1 receptor, such as Alzheimer's disease, cognitive impairment, schizophrenia, pain or sleep disorders, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances.
• Benzothiophene inhibitors of MK2. Part 1: Structure–activity relationships, assessments of selectivity and cellular potency
  作者：David R. Anderson、Marvin J. Meyers、Ravi G. Kurumbail、Nicole Caspers、Gennadiy I. Poda、Scott A. Long、Betsy S. Pierce、Matthew W. Mahoney、Robert J. Mourey

  DOI：10.1016/j.bmcl.2009.02.015

  日期：2009.8

  Identification of potent benzothiophene inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2), structure-activity relationship (SAR) studies, selectivity assessments against CDK2, cellular potency and mechanism of action are presented. Crystallographic data provide a rationale for the observed MK2 potency as well as selectivity over CDK2 for this class of inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.
• 10.1039/d4gc01238k
  作者：Yang, Guoqing、Jia, Jingpei、Zhu, Zile、Qiu, Youai

  DOI：10.1039/d4gc01238k

  日期：——

  Herein, a selective and efficient CO2-mediated Z to E isomerization of enamides is reported. Notably, CO2 acts as a promoter to form the key reaction intermediate. This protocol provides a novel method for the selective isomerization of enamides under mild conditions with moderate to excellent yields. The method exhibits a broad substrate scope, including late-stage modification of biorelevant molecules

  在此，报道了烯酰胺的选择性且有效的CO 2介导的Z至E异构化。值得注意的是，CO 2充当形成关键反应中间体的促进剂。该方案提供了一种在温和条件下选择性异构化烯酰胺的新方法，具有中等至优异的产率。该方法具有广泛的底物范围，包括生物相关分子的后期修饰。通过循环伏安法 (CV) 和密度泛函理论 (DFT) 计算得出的机理见解提供了证据，证明中间体通过非常规的 C 中心模式促进了反应。