3,3-二甲基环戊胺 | 207907-68-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3,3-二甲基环戊胺
• 中文别名: 3,3-二甲基-环戊胺
• 英文名称: rac-3,3-dimethylcyclopentanamine
• 英文别名: 3,3-dimethylcyclopentane-1-amine；3,3-Dimethyl-cyclopentylamin；3,3-dimethylcyclopentanamine；3,3-Dimethylcyclopentan-1-amine
• CAS: 207907-68-4
• 化学式: C₇H₁₅N
• mdl: MFCD13192714
• 分子量: 113.203
• InChiKey: LSRWLFSMCCKSJA-UHFFFAOYSA-N

物化性质

• 沸点：
  134.2±8.0 °C(Predicted)
• 密度：
  0.840±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-已氧基苯甲酰氯 、 3,3-二甲基环戊胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3,3-Dimethylcyclopentyl)-4-hexyloxybenzamide
  参考文献：
  名称：

  Design and Synthesis of 4-Substituted Benzamides as Potent, Selective, and Orally Bioavailable I_Ks Blockers

  摘要：

  Multiple delayed rectifier potassium currents, including I-Ks are responsible for the repolarization and termination of the cardiac action potential, and blockers of these currents may be useful as antiarrhythmic agents. Modification of compound 5 produced 19(S) that is the most potent IF, blocker reported to date with > 5000-fold selectivity over other cardiac ion channels. Further modification produced 24A with 23% oral bioavailability.

  DOI：

  10.1021/jm015505u
• 作为产物：
  描述：

  4,4-二甲基-2-环戊烯-1-酮 在 platinum(IV) oxide 、 palladium on activated charcoal 氢气 、 苄胺 作用下， 以 乙醇 为溶剂， 生成 3,3-二甲基环戊胺
  参考文献：
  名称：

  Design and Synthesis of 4-Substituted Benzamides as Potent, Selective, and Orally Bioavailable I_Ks Blockers

  摘要：

  Multiple delayed rectifier potassium currents, including I-Ks are responsible for the repolarization and termination of the cardiac action potential, and blockers of these currents may be useful as antiarrhythmic agents. Modification of compound 5 produced 19(S) that is the most potent IF, blocker reported to date with > 5000-fold selectivity over other cardiac ion channels. Further modification produced 24A with 23% oral bioavailability.

  DOI：

  10.1021/jm015505u

文献信息

• [EN] SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION<br/>[FR] AMINOTHIAZOLES SUBSTITUÉS UTILISÉS COMME INHIBITEURS DE LA DGK ZÊTA POUR L'ACTIVATION IMMUNITAIRE
  申请人：BAYER AG

  公开号：WO2021214020A1

  公开（公告）日：2021-10-28

  The present invention covers aminothiazole compounds of general formula (I) : in which R1, R2, R3 and R4 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of diacylglycerol kinase zeta (DGKζ) regulated disorders, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的氨基噻唑化合物：其中R1、R2、R3和R4如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗和/或预防疾病，特别是二酰基甘油激酶ζ（DGKζ）调节性疾病的药物组合物的用途，作为唯一药剂或与其他活性成分组合使用。
• Overcoming the Limitations of γ- and δ-C–H Arylation of Amines through Ligand Development
  作者：Yan-Qiao Chen、Zhen Wang、Yongwei Wu、Steven R. Wisniewski、Jennifer X. Qiao、William R. Ewing、Martin D. Eastgate、Jin-Quan Yu

  DOI：10.1021/jacs.8b07109

  日期：2018.12.26

  improves the γ-methylene arylation of alkyl amines, extending the coupling partners to a wide range of medicinally important heteroaryl iodides and even previously unreactive heteroaryl bromides. The combination of an appropriate transient directing group and pyridone ligand has also enabled the δ-arylation of alkyl amines. Notably, our transient directing group design reveals the importance of matching

  基于可逆亚胺键的 L,X 型瞬态导向基团 (TDG) 已成为广泛用于酮和游离胺 CH 活化的有用工具。然而，多种反应组分（TDG 本身、底物和底物-TDG 加合物）与钯催化剂之间的竞争性结合相互作用通常会导致形成多种非反应性复合物，从而使配体开发极具挑战性。在这里，我们报告了解决这些问题的多功能 2-吡啶酮配体的发现，并显着改善了烷基胺的 γ-亚甲基芳基化，将偶联伙伴扩展到广泛的医学上重要的杂芳基碘化物，甚至以前不反应的杂芳基溴化物。适当的瞬态导向基团和吡啶酮配体的组合也使烷基胺的 δ-芳基化成为可能。值得注意的是，我们的瞬态导向基团设计揭示了将 Pd 螯合的大小与不同的瞬态导向基团以及由 γ- 和 δ-CH 键产生的钯环的大小相匹配的重要性：与 Pd(II) 协调形成一个六元螯合物对 γ-CH 键具有选择性，而通过五元螯合物与 Pd(II) 配位的 TDG 倾向于激活 δ-CH 键。这些
• [EN] QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLÉINE COMME INHIBITEURS DE BROMODOMAINE
  申请人：GILEAD SCIENCES INC

  公开号：WO2015080707A1

  公开（公告）日：2015-06-04

  This application relates to chemical compounds which may act as inhibitors of, or which may otherwise modulate the activity of a bromodomain-containing protein, including bromodomain-containing protein 4 (BRD4), and to compositions and formulations containing such compounds, and methods of using and making such compounds. Compounds include compounds of Formula I, wherein R, R2, R3, R4, R7, W, X are as described herein and Z is selected from the group consisting of unsubstituted or substituted isoxazolyl, and unsubstituted or substituted pyrazolyl. Provided herein are also methods for the preparation and use of the compounds, and to pharmaceutical compositions containing the same.

  该申请涉及可能作为溴结构域含蛋白质的抑制剂或以其他方式调节溴结构域含蛋白质活性的化合物，包括溴结构域含蛋白质4（BRD4），以及含有这些化合物的组合物和配方，以及使用和制备这些化合物的方法。化合物包括式I的化合物，其中R、R2、R3、R4、R7、W、X如本文所述，Z选自未取代或取代的异唑啉基和未取代或取代的吡唑基。此外，还提供了制备和使用这些化合物的方法，以及含有这些化合物的药物组合物。
• Hydroxyethylamine derivatives for the treatment of alzheimer's disease
  申请人：Demont H Emmanuel

  公开号：US20060025459A1

  公开（公告）日：2006-02-02

  The present invention relates to novel hydroxyethylamine compounds having Asp2 (β-secretase, BACE1 or Memapsin) inhibitory activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated β-amyloid levels or β-amyloid deposits, particularly Alzheimer's disease.

  本发明涉及具有Asp2（β-秘鲁酶、BACE1或Memapsin）抑制活性的新型羟乙基胺化合物，其制备方法，包含它们的组合物以及它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积物所特征的疾病，特别是阿尔茨海默病中的应用。
• Tuberculosis treatment using pleuromutilin derivatives
  申请人：Ascher Gerd

  公开号：US20070270404A1

  公开（公告）日：2007-11-22

  A method of preventing or treating diseases caused by Mycobacterium , comprising administering to a subject in need of such treatment an effective amount of a pleuromutilin.

  一种预防或治疗由分枝杆菌引起的疾病的方法，包括向需要此类治疗的受试者施用足够量的苯丙醇霉素。