2,4-Di-t-butyl-N-methylpyrrol | 70721-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2,4-Di-t-butyl-N-methylpyrrol
• 英文别名: 2,4-di-tert-butyl-1-methyl-pyrrole；2,4-Ditert-butyl-1-methylpyrrole
• CAS: 70721-10-7
• 化学式: C₁₃H₂₃N
• 分子量: 193.332
• InChiKey: PIXVOBDGOUTLKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  [(Z)-5-(dimethylamino)-2,2,6,6-tetramethylhept-4-en-3-ylidene]-dimethylazanium 、 氨 、 氨基钠 以40%的产率得到
  参考文献：
  名称：

  GOMPPER R.; SCHNEIDER C. S., SYNTHESIS, 1979, NO 3, 213-215

  摘要：

  DOI：

文献信息

• PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF
  申请人：Mersana Therapeutics, Inc.

  公开号：US20170369453A1

  公开（公告）日：2017-12-28

  The present disclosure relates generally to derivatives of pyrrolobenzodiazepines and antibody-drug conjugates thereof and to methods of using these conjugates as therapeutics and/or diagnostics.

  本公开涉及吡咯苯并二氮杂苯并二氮杂二环己烯衍生物及其抗体药物结合物，以及使用这些结合物作为治疗和/或诊断的方法。
• 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）。
• Pyrrolobenzodiazepines and conjugates thereof
  申请人：Mersana Therapeutics, Inc.

  公开号：US10660901B2

  公开（公告）日：2020-05-26

  The present disclosure relates generally to derivatives of pyrrolobenzodiazepines and antibody-drug conjugates thereof and to methods of using these conjugates as therapeutics and/or diagnostics.

  本公开总体上涉及吡咯并二氮杂卓的衍生物及其抗体-药物共轭物，以及将这些共轭物用作治疗和/或诊断的方法。
• Hepatitis B antiviral agents
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US10952978B2

  公开（公告）日：2021-03-23

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: X-A-Y-L-R  (I) which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式（I）化合物或其药学上可接受的盐、酯或原药： X-A-Y-L-R (I) 其可抑制乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒 HBV 生命周期的功能，也可用作抗病毒药物。本发明进一步涉及包含上述化合物的药物组合物，用于给受 HBV 感染的患者用药。本发明还涉及通过施用包含本发明化合物的药物组合物治疗受试者 HBV 感染的方法。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20220013735A1

  公开（公告）日：2022-01-13

  Provided are compounds of formula Ir(L A ) 2 L C where: each ligand L A can be the same or different and has Formula I Also provided are formulations comprising these iridium complexes comprising pyridine-azole ligands. Further provided are OLEDs and related consumer products that utilize these iridium complexes comprising pyridine-azole ligands.