(2S)-N,3,3-trimethylbutan-2-amine | 1190061-25-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2S)-N,3,3-trimethylbutan-2-amine
• CAS: 1190061-25-6
• 化学式: C₇H₁₇N
• 分子量: 115.219
• InChiKey: WVNLIXPHUXNITQ-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• 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：

  (2S)-N,3,3-trimethylbutan-2-amine 、 三苯基乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-N-(3,3-dimethylbutan-2-yl)-N-methyl-2,2,2-triphenylacetamide
  参考文献：
  名称：

  三苯乙酸酰胺：具有诱导手性的分子推进器

  摘要：

  电子圆二色光谱 (ECD)、X 射线衍射和理论计算的结合允许详细描述三苯基乙酰胺中意想不到的手性转移，这仅通过弱分子内相互作用实现。观察到的现象作为级联过程进行。三苯基乙酰胺发色团对连接到立体中心的取代基的相对大小的微小变化很敏感。立体中心的取代影响远端三苯甲基发色团的螺旋度，但不影响其螺旋桨形状。螺旋桨形状的变形和随之而来的 C3 对称性丧失主要是由酰胺氢的取代引起的，并且与空间位阻的增加有关。作为我们研究的结果，提出了手性三苯基乙酰胺的光学活性模型。进行的 X 射线研究表明，由于晶体的孔隙率，这类新型手性化合物可能具有附加价值。

  DOI：

  10.1002/ejoc.201403182

文献信息

• Pyrazolopyrimidines
  申请人：Gebauer Olaf

  公开号：US20070197540A1

  公开（公告）日：2007-08-23

  This invention relates to novel pyrazolopyrimidines of the formula in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined in the disclosure, to a plurality of processes for preparing these compounds and to their use for controlling unwanted microorganisms.

  这项发明涉及一种新型吡唑吡咯嘧啶化合物，其化学式如下：其中R1、R2、R3、R4、R5、R6、R7和R8如披露中定义，以及用于制备这些化合物的多种方法以及它们用于控制不受欢迎的微生物的用途。
• Chemical Compounds
  申请人：Kerns K. Jeffrey

  公开号：US20070254873A1

  公开（公告）日：2007-11-01

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula I: where R1, R2, R3, U and V are defined below and to pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲哚羧酰胺衍生物。具体而言，本发明涉及公式I所示的化合物：其中R1，R2，R3，U和V如下所定义，及其药学上可接受的盐。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性有关的疾病，如类风湿性关节炎、哮喘和COPD（慢性阻塞性肺疾病）。因此，本发明还涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制IKK2活性和治疗与此相关的疾病的方法。
• Tricyclic Compounds Useful as Inhibitors of Kinases
  申请人：Truchon Jean-Francois

  公开号：US20100048551A1

  公开（公告）日：2010-02-25

  The present invention provides inhibitors of kinases, specifically IκB kinases, JAK1, JAK2, JAK3 and TYK2. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting said kinase activity by administering the compound to a patient in need of treatment for myeloproliferative disorders, cancer or NF-κB-mediated diseases.

  本发明提供了激酶抑制剂，特别是IκB激酶、JAK1、JAK2、JAK3和TYK2的抑制剂。本发明还提供了包含这种抑制性化合物的组合物，并通过将该化合物用于需要治疗骨髓增生性疾病、癌症或NF-κB介导疾病的患者来抑制该激酶活性的方法。
• DOLASTATIN 15 DERIVATIVES
  申请人：JANSSEN Bernd

  公开号：US20100099843A1

  公开（公告）日：2010-04-22

  Compounds of the present invention include cell growth inhibitors which are peptides of Formula I, A-B-D-E-F-(G) r -(K) s -L  (I), and acid salts thereof, wherein A, B, D, E, F, G and K are α-amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as, for example, an amino group, an N-substituted amino group, a β-hydroxylamino group, a hydrazido group, an alkoxy group, a thioalkoxy group, an aminoxy group, or an oximato group. The present invention also includes a method for treating cancer in a mammal, such as a human, comprising administering to the mammal an effective amount of a compound of Formula I in a pharmaceutically acceptable composition.

  本发明的化合物包括细胞生长抑制剂，其为公式I中的肽，A-B-D-E-F-(G)r-(K)s-L（I），以及其酸盐，其中A、B、D、E、F、G和K均为α-氨基酸残基，s和r各自独立地为0或1。L是单价基团，例如氨基、N-取代氨基、β-羟胺基、肼基、烷氧基、硫烷氧基、氨氧基或氧肟基等。本发明还包括一种治疗哺乳动物（例如人类）癌症的方法，包括向哺乳动物中以药学上可接受的组成物的有效量给予公式I的化合物。
• 5-Aminomethylbenzimidazoles as potent ITK antagonists
  作者：Doris Riether、Renée Zindell、Jennifer A. Kowalski、Brian N. Cook、Jörg Bentzien、Stéphane De Lombaert、David Thomson、Stanley Z. Kugler、Donna Skow、Leslie S. Martin、Ernest L. Raymond、Hnin Hnin Khine、Kathy O’Shea、Joseph R. Woska、Deborah Jeanfavre、Rosemarie Sellati、Kerry L.M. Ralph、Jennifer Ahlberg、Gabriel Labissiere、Mohammed A. Kashem、Steven S. Pullen、Hidenori Takahashi

  DOI：10.1016/j.bmcl.2009.02.012

  日期：2009.3

  Benzamide 1 demonstrated good potency as a selective ITK inhibitor, however the amide moiety was found to be hydrolytically labile in vivo, resulting in low oral exposure and the generation of mutagenic aromatic amine metabolites. Replacing the benzamide with a benzylamine linker not only addressed the toxicity issue, but also improved the cellular and functional potency as well as the drug-like properties. SAR studies around the benzylamines and the identification of 10n and 10o as excellent tools for proof-of-concept studies are described. (C) 2009 Elsevier Ltd. All rights reserved.