tert-butyl 4-(benzylamino)butanoate | 174799-84-9

• 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: tert-butyl 4-(benzylamino)butanoate
• CAS: 174799-84-9
• 化学式: C₁₅H₂₃NO₂
• 分子量: 249.353
• InChiKey: QYOBADYUAJGOKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(benzylamino)butanoate 在 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 sodium iodide 作用下， 以 反-1,2-二氯乙烯 、 二氯甲烷 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 6.0h， 生成 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(2-(benzyl(4-(1-((ethoxycarbonyl)oxy)ethoxy)-4-oxobutyl)amino)-4-(trifluoromethyl)benzyl)piperazine-1-carboxylate
  参考文献：
  名称：

  MAGL INHIBITORS

  摘要：

  本文提供了哌嗪羰胺和包含该化合物的药物组合物。所述化合物和组合物可用作MAGL的调节剂。此外，所述化合物和组合物可用于治疗疼痛。

  公开号：

  US20180134674A1
• 作为产物：
  描述：

  tert-butyl 4-(((benzyloxy)carbonyl)amino)butanoate 在 palladium on activated charcoal sodium tetrahydroborate 、 氢气 、 magnesium sulfate 、 三乙胺 作用下， 以 甲醇 、 溶剂黄146 为溶剂， -5.0~25.0 ℃ 、413.69 kPa 条件下， 反应 5.5h， 生成 tert-butyl 4-(benzylamino)butanoate
  参考文献：
  名称：

  Building Units for N-Backbone Cyclic Peptides. 3. Synthesis of Protected N^α-(ω-Aminoalkyl)amino Acids and N^α-(ω-Carboxyalkyl)amino Acids

  摘要：

  An improved synthesis of a family of amino acids that contain omega-aminoalkyl groups and of a new family containing omega-carboxyalkyl groups linked to the alpha-amine is described. The synthesis was performed by alkylation of suitably monoprotected alkylenediamines and protected omega-amino acids with triflates of alpha-hydroxy acid esters. The reaction proceeded with inversion of configuration yielding optically pure products. The N-alpha-(omega-aminoalkyl)amino acids and N-alpha-(omega-carboxyalkyl)amino acids were orthogonally protected to allow their incorporation into peptides by solid-phase peptide synthesis (SPPS) methodology.

  DOI：

  10.1021/jo961580e

文献信息

• NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME
  申请人：KOWA COMPANY, LTD.

  公开号：US20140309207A1

  公开（公告）日：2014-10-16

  The present invention provides a novel compound represented by a general formula (1) as shown below, which has a glucokinase-activating action in the liver and pancreatic β-cells and which is useful as an agent for preventing and/or treating diseases caused by hyperglycemia, such as diabetes. A spiroindoline compound represented by the general formula (1), or a salt thereof, or a solvate of the compound or the salt: [wherein ring A represents a nitrogen-containing 5-10 membered heteroaryl group; R 1 and R 2 , which are the same or different, each represent a hydrogen atom, a halogen atom, a halo C 1-6 alkyl group, a C 6-10 aryl group, a cyano group, a C 1-6 alkyl group optionally having a substituent, a C 2-6 alkenyl group optionally having a substituent, etc.; R 3 represents a hydrogen atom, a C 1-6 alkyl group optionally having a substituent, etc.; and R 4 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group optionally having a substituent, etc.]

  本发明提供了一种新型化合物，其通式（1）如下所示，具有在肝脏和胰岛β细胞中激活葡萄糖激酶的作用，并可用作预防和/或治疗由高血糖引起的疾病，如糖尿病的药物。该通式（1）表示的螺环吲哚化合物，或其盐，或化合物或盐的溶剂：[其中环A代表含氮的5-10成员杂环基；R1和R2，相同或不同，分别代表氢原子，卤原子，卤代C1-6烷基，C6-10芳基，氰基，C1-6烷基，可选取代基，C2-6烯基，可选取代基等；R3代表氢原子，C1-6烷基，可选取代基等；R4代表氢原子，卤原子，C1-6烷基，可选取代基等。]
• Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof
  申请人：Signature Therapeutics, Inc.

  公开号：US10028945B2

  公开（公告）日：2018-07-24

  A method of providing a patient with controlled release of ketone-containing opioid using a prodrug capable, upon enzymatic activation and intramolecular cyclization, of releasing the ketone-containing opioid is disclosed. The disclosure also provides such prodrug compounds and pharmaceutical compositions comprising such compounds. Such pharmaceutical compositions can optionally include an enzyme inhibitor that interacts with the enzyme(s) to mediate the enzymatically-controlled release of the ketone-containing opioid from the prodrug so as to modify enzymatic cleavage of the prodrug. Also included are methods to use such compounds and pharmaceutical compositions.

  本发明公开了一种使用原药的方法，这种原药能够在酶活化和分子内环化后释放含酮阿片类药物，为患者提供控释含酮阿片类药物。本公开还提供了此类原药化合物和包含此类化合物的药物组合物。此类药物组合物可选择性地包括一种酶抑制剂，该酶抑制剂与酶相互作用，介导含酮阿片类药物从原药中的酶控释放，从而改变原药的酶裂解。此外，还包括使用此类化合物和药物组合物的方法。
• MAGL inhibitors
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US10093635B2

  公开（公告）日：2018-10-09

  Provided herein are piperazine carbamates and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL. Furthermore, the subject compounds and compositions are useful for the treatment of pain.

  本文提供了哌嗪氨基甲酸酯类化合物和包含上述化合物的药物组合物。所述化合物和组合物可用作 MAGL 的调节剂。此外，所述化合物和组合物还可用于治疗疼痛。
• US8921576B2
  申请人：——

  公开号：US8921576B2

  公开（公告）日：2014-12-30
• [EN] MAGL INHIBITORS<br/>[FR] INHIBITEURS DE MAGL
  申请人：ABIDE THERAPEUTICS INC

  公开号：WO2018093947A1

  公开（公告）日：2018-05-24

  Provided herein are piperazine carbamates and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL. Furthermore, the subject compounds and compositions are useful for the treatment of pain.