3-tert-butyl 6-ethyl (1R*,5S*,6S*)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate | 827599-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-tert-butyl 6-ethyl (1R*,5S*,6S*)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
• 英文别名: tert-butyl 6-ethoxycarbonyl-3-azabicyclo[3.1.0]hexane-3-carboxylate；(1R,5S,6s)-3-tert-butyl 6-ethyl 3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
• CAS: 827599-20-2
• 化学式: C₁₃H₂₁NO₄
• 分子量: 255.314
• InChiKey: SESCEXYKMJZFEE-ILWJIGKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-tert-butyl 6-ethyl (1R*,5S*,6S*)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate 在 盐酸 、 lithium aluminium tetrahydride 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 14.33h， 生成 2-(trimethylsilyl)ethyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
  参考文献：
  名称：

  TW2023/25706

  摘要：

  公开号：
• 作为产物：
  描述：

  rac-(1R,5S,6r)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 3-tert-butyl 6-ethyl (1R*,5S*,6S*)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
  参考文献：
  名称：

  [EN] SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS)
  [FR] PETITES MOLÉCULES INHIBITRICES DE LA GMP-AMP SYNTHASE CYCLIQUE (CGAZ)

  摘要：

  Provided herein are compounds of Formula (I), their pharmaceutically acceptable salts, and their pharmaceutical compositions: (I) wherein R1, R2, R3, L, X, and Ar are defined in the present disclosure. The compounds are inhibitors of cyclic gmp-amp synthase (cGAS) or CGAS-related cGAMP production, and they are useful in treating or preventing inflammatory diseases or conditions in a subject.

  公开号：

  WO2023288253A1

文献信息

• Cyanide Anion as a Leaving Group in Nucleophilic Aromatic Substitution: Synthesis of Quaternary Centers at Azine Heterocycles
  作者：Alexander D. Thompson、Malcolm P. Huestis

  DOI：10.1021/jo302307y

  日期：2013.1.18

  Nucleophilic aromatic substitution of 2- or 4-cyanoazines with the anions derived from aliphatic α,α-disubstituted esters and nitriles leads to displacement of the cyanide function. Enabling cyanides to be used as highly active leaving groups in SNAr reactions provides additional flexibility in starting materials for synthesis. We show that, in many cases, the cyanide leaving group is displaced preferentially

  用衍生自脂族α，α-二取代的酯和腈的阴离子对2-或4-氰基嗪进行亲核芳族取代会导致氰化物官能团的置换。使氰化物能够在S N Ar反应中用作高活性离去基团，为合成原料提供了额外的灵活性。我们表明，在许多情况下，氰化物离去基团在卤素存在下优先被取代。所得的杂芳基碘化物，溴化物和氯化物随后可用作进一步化学多样化的处理方法。
• BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119
  申请人：Xia Yan

  公开号：US20110212938A1

  公开（公告）日：2011-09-01

  The present invention relates to Bicyclic Heterocycle Derivatives, compositions comprising a Bicyclic Heterocycle Derivative, and methods of using the Bicyclic Heterocycle Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of GPR119 in a patient.

  本发明涉及双环杂环衍生物、包含双环杂环衍生物的组合物以及使用双环杂环衍生物治疗或预防患者的肥胖症、糖尿病、代谢紊乱、心血管疾病或与GPR119活性相关的疾病的方法。
• 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS
  申请人：Genentech, Inc.

  公开号：US20160002228A1

  公开（公告）日：2016-01-07

  The present invention provides for compounds of Formula (I) and various embodiments thereof, and compositions comprising compounds of Formula (I) and various embodiments thereof. In compounds of Formula I, the groups R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 have the meaning as described herein. The present invention also provides for methods of using compounds of Formula I and compositions comprising compounds of Formula (I) as DLK inhibitors and for treating neurodegeneration diseases and disorders.

  本发明提供了公式（I）的化合物及其各种实施方式，以及包含公式（I）的化合物和其各种实施方式的组合物。在公式I的化合物中，R1，R2，R3，R4，R5，R6和R7基团的含义如本文所述。本发明还提供了使用公式I的化合物和包含公式（I）的化合物的组合物作为DLK抑制剂和治疗神经退行性疾病和障碍的方法。
• [EN] SRC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE SRC ET LEURS UTILISATIONS
  申请人：RELAY THERAPEUTICS INC

  公开号：WO2022109551A1

  公开（公告）日：2022-05-27

  The present invention relates to compounds and methods useful for inhibiting non-receptor tyrosine-protein kinase Src ("Src"). The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using said compositions in the treatment of various disorders.

  本发明涉及于化合物和方法，用于抑制非受体酪氨酸蛋白激酶Src（“Src”）。本发明还提供了包含本发明化合物的药学上可接受的组合物，并且提供了使用该组合物治疗各种疾病的方法。
• [EN] FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSÉS QUADRACYCLIQUES FUSIONNÉS, COMPOSITIONS ET LEURS UTILISATIONS
  申请人：TABOMEDEX BIOSCIENCES INC

  公开号：WO2022150707A1

  公开（公告）日：2022-07-14

  Provided herein are substituted fused quadracyclic compounds useful as inhibitors of MK2. The invention further provides pharmaceutical compositions of the compounds of the invention. The invention also provides medical uses of substituted fused quadracyclic compounds.

  本发明提供了用作MK2抑制剂的取代融合四环化合物。该发明还提供了该化合物的制药组合物。该发明还提供了取代融合四环化合物的医药用途。