4-Methyl-2-(propan-2-yl)pyrrolidine | 1314936-08-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 4-Methyl-2-(propan-2-yl)pyrrolidine
• 英文别名: 4-methyl-2-propan-2-ylpyrrolidine
• CAS: 1314936-08-7
• 化学式: C₈H₁₇N
• 分子量: 127.23
• InChiKey: NPOFEKDXRFTVQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-Methyl-2-(propan-2-yl)pyrrolidine 、 对甲苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 N-tosyl-2-isopropyl-4-methylpyrrolidine 、 N-tosyl-2-isopropyl-4-methylpyrrolidine
  参考文献：
  名称：

  自由基-阴离子多米诺反应立体选择性合成双环硝基环丙烷

  摘要：

  进行了新颖的一步式自由基离子环丙烷化反应，以立体选择性方式从β-硝基酰胺或β-硝基醚制备氮杂或氧杂双环[3.1.0]己烷（参见方案）。本程序涉及一个更高阶的多米诺骨牌过程，该过程包括单电子氧化-自由基环化-分子内S N 2反应。

  DOI：

  10.1002/chem.200901920
• 作为产物：
  描述：

  N-formyl-2-isopropyl-4-methylpyrrolidine 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 10.0h， 生成 4-Methyl-2-(propan-2-yl)pyrrolidine
  参考文献：
  名称：

  自由基-阴离子多米诺反应立体选择性合成双环硝基环丙烷

  摘要：

  进行了新颖的一步式自由基离子环丙烷化反应，以立体选择性方式从β-硝基酰胺或β-硝基醚制备氮杂或氧杂双环[3.1.0]己烷（参见方案）。本程序涉及一个更高阶的多米诺骨牌过程，该过程包括单电子氧化-自由基环化-分子内S N 2反应。

  DOI：

  10.1002/chem.200901920

文献信息

• GAS41 INHIBITORS AND METHODS OF USE THEREOF
  申请人：The Regents of the University of Michigan

  公开号：US20220017509A1

  公开（公告）日：2022-01-20

  Provided herein are small molecules that bind to GAS41 and inhibit GAS41 activity, and methods of use thereof for the treatment of cancer.

  本文提供了结合到GAS41并抑制GAS41活性的小分子，以及将其用于治疗癌症的方法。
• PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS
  申请人：H. Lee Moffitt Cancer Center and Research Institute, Inc

  公开号：US20140073650A1

  公开（公告）日：2014-03-13

  Focused library synthesis and medicinal chemistry on an oxadiazole-isopropylamide core proteasome inhibitor provided the lead compound that strongly inhibits CT-L activity. Structure activity relationship studies indicate the amide moiety and two phenyl rings are sensitive toward synthetic modifications. Only para-substitution in the A-ring was important to maintain potent CT-L inhibitory activity. Hydrophobic residues in the A-ring's para-position and meta-pyridyl group at the B-ring significantly improved inhibition. The meta-pyridyl moiety improved cell permeability. The length of the aliphatic chain at the para position of the A-ring is critical with propyl yielding the most potent inhibitor, whereas shorter (i.e. ethyl, methyl or hydrogen) or longer (i.e. butyl, propyl and hexyl) chains demonstrating progressively less potency. Introduction of a stereogenic center next to the ether moiety (i.e. substitution of one of the hydrogens by methyl) demonstrated chiral discrimination in proteasome CT-L activity inhibition (the S-enantiomer was 35-40 fold more potent than the R-enantiomer).

  聚焦于氧代二唑-异丙酰胺核心蛋白酶体抑制剂的合成和药物化学，提供了一种强烈抑制CT-L活性的先导化合物。结构活性关系研究表明，酰胺基团和两个苯环对合成修饰非常敏感。只有在A环上的对位取代对维持强效的CT-L抑制活性至关重要。A环对位的疏水基团和B环的间吡啶基团显著提高了抑制作用。间吡啶基团提高了细胞渗透性。A环对位的脂肪链长度是关键，丙基产生了最有效的抑制剂，而较短（即乙基，甲基或氢）或较长（即丁基，异丙基和己基）的链逐渐表现出较少的效力。在醚基团旁引入一个立体异构中心（即将一个氢原子取代为甲基）表明在蛋白酶体CT-L活性抑制中具有手性歧视（S-对映体比R-对映体更有效，效力提高了35-40倍）。
• Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20170066783A1

  公开（公告）日：2017-03-09

  Compounds, methods of use, and processes for making inhibitors of complement Factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is an aryl, heteroaryl or heterocycle (R 32 ) are provided. The inhibitors of Factor D described herein reduce the excessive activation of complement.
• N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE
  申请人：Petrukhin Konstantin

  公开号：US20180222919A1

  公开（公告）日：2018-08-09

  The present invention provides a compound having the structure: (structurally represented) wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl; R6 is alkyl; A is absent or present, and when present is —C(O)— or —C(O)NH—; B is substituted or unsubstituted monocycle, bicycle, heteromonocycle, heterobicycle, benzyl, CO2H or (C1-C4 alkyl)-CO2H, wherein when B is CO2H, then A is present and is —C(O)—, or a pharmaceutically acceptable salt thereof.
• [EN] COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION<br/>[FR] AGENTS PHARMACEUTIQUES COMBINATOIRES AU TITRE D'INHIBITEURS DE LA RÉPLICATION DU VHC
  申请人：ENANTA PHARM INC

  公开号：WO2011109037A1

  公开（公告）日：2011-09-09

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a flaviviridae viral infection, for example, hepatitis C virus (HCV), wherein treatment comprises administering a compound effective to inhibit the function of the HCV NS5A protein and an additional compound or combinations of compounds having anti- HCV activity.