4-(2-哌啶-4-基乙基)哌啶 | 6329-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(2-哌啶-4-基乙基)哌啶
• 英文名称: 4-[2-(piperidin-4-yl)ethyl]piperidine
• 英文别名: 4-[2-(4-piperidyl)ethyl]piperidine；1,2-bis (4-piperidinyl)ethane；1,2-di(piperidin-4-yl)ethane；4,4'-ethylenedipiperidine；4,4-ethylenedipiperidine；4,4'-ethane-1,2-diyl-bis-piperidine；4-(2-Piperidin-4-ylethyl)piperidine
• CAS: 6329-72-2
• 化学式: C₁₂H₂₄N₂
• mdl: MFCD08669803
• 分子量: 196.336
• InChiKey: ZILQRIKYRNQQDE-UHFFFAOYSA-N

物化性质

• 熔点：
  113-114 °C
• 沸点：
  284.6±8.0 °C(Predicted)
• 密度：
  0.898±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-哌啶-4-基乙基)哌啶 在 盐酸 、 三乙胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 1-[4-(2-Piperidin-4-yl-ethyl)-piperidin-1-yl]-pentadecan-1-one; hydrochloride
  参考文献：
  名称：

  Design, Synthesis, and Preliminary Pharmacological Evaluation of a Set of Small Molecules That Directly Activate Gi Proteins

  摘要：

  Heterotrimeric G proteins play a pivotal role in the communication of cells with the environment. G proteins are stimulated by cell surface receptors (GPCR) that catalyze the exchange of GDP, bound to G alpha subunit, with GTP and can per se be the target of drugs. Based on the structure of two nonpeptidic modulators of Gi proteins, a series of new molecules characterized by a long hydrophobic chain and at least two nitrogen atoms protonated at physiological pH was designed. The compounds were tested for their ability to stimulate binding of GTP gamma S to recombinant Gi proteins. Gi activation properties were also evaluated by inhibition of adenylyl cyclase activity in intact lymphocytes. Most compounds were able to stimulate GTP gamma S binding and to inhibit cAMP production at micromolar doses. Among the active compounds, 34 showed good efficacy and was the most potent compound studied, particularly on alpha(0) subtype; its regioisomer, 36, was the most efficacious one. Compound 7 showed also an interesting profile as it showed selectivity toward the alpha(0) subtype, in both efficacy and potency. Some of the compounds synthesized and found to be active may be useful leads to develop more potent and selective Gi protein modulators.

  DOI：

  10.1021/jm050498l
• 作为产物：
  描述：

  1,2-二(4-吡啶基)乙烯 在 甲醇 、 环己烷 、 镍 、 铂 作用下， 175.0~190.0 ℃ 、13.24 MPa 条件下， 生成 4-(2-哌啶-4-基乙基)哌啶
  参考文献：
  名称：

  Action of Sulfur on Certain Pyridine and Quinoline Derivatives. I. Action of Sulfur on 4-Picoline

  摘要：

  DOI：

  10.1021/ja01187a007

文献信息

• NOVEL COMPOUND HAVING MULTIMER STRUCTURE OF XANTHENE DERIVATIVE, COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, COLOR FILTER, AND COLOR TONER
  申请人：FUJIFILM CORPORATION

  公开号：US20140176653A1

  公开（公告）日：2014-06-26

  There is provided a compound represented by formula (1): in formula (1), L represents a divalent to tetravalent linking group; D represents a residue obtained by removing 1 to 5 hydrogen atoms from a compound represented by formula (2); m represents an integer of 1 to 10, however, each L may be the same with or different from every other L; n represents an integer of 2 to 10, however, each D may be the same with or different from every other D; and in formula (2), each of R 4 to R 24 independently represents a hydrogen atom or a substituent, provided that formula (2) has at least one or more ionic hydrophilic groups.

  提供了一种由公式(1)表示的化合物：在公式(1)中，L代表二价到四价的连接基团；D代表通过从由公式(2)表示的化合物中去除1到5个氢原子获得的残基；m代表1到10的整数，但是，每个L可以相同也可以不同于其他L；n代表2到10的整数，但是，每个D可以相同也可以不同于其他D；在公式(2)中，R4到R24中的每一个独立地代表一个氢原子或一个取代基，前提是公式(2)至少有一个或更多的离子亲水基团。
• [EN] TARGETED THERAPEUTICS<br/>[FR] THÉRAPEUTIQUE CIBLÉE
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2015038649A1

  公开（公告）日：2015-03-19

  The present invention provides pharmacological compounds including an effector moiety conjugated to a binding moiety that directs the effector moiety to a biological target of interest. Likewise, the present invention provides compositions, kits, and methods (e.g., therapeutic, diagnostic, and imaging) including the compounds. The compounds can be described as a protein interacting binding moiety-drug conjugate (SDC-TRAP) compounds, which include a protein interacting binding moiety and an effector moiety. For example, in certain embodiments directed to treating cancer, the SDC-TRAP can include an Hsp90 inhibitor conjugated to a cytotoxic agent as the effector moiety.

  本发明提供了包括与将效应子导向至感兴趣的生物靶点的结合基团共轭的药理化合物。同样，本发明提供了包括这些化合物的组合物、试剂盒和方法（例如治疗、诊断和成像）。这些化合物可以被描述为蛋白质相互作用结合基团-药物共轭（SDC-TRAP）化合物，其中包括蛋白质相互作用结合基团和效应子。例如，在针对治疗癌症的某些实施方式中，SDC-TRAP可以包括Hsp90抑制剂共轭到细胞毒性药剂作为效应子。
• Reversal of Enantioselectivity by Tuning the Conformational Flexibility of Phase-Transfer Catalysts
  作者：Ming-Qing Hua、Han-Feng Cui、Lian Wang、Jing Nie、Jun-An Ma

  DOI：10.1002/anie.200906814

  日期：2010.4.1

  Towards perfect asymmetric catalysis: When binol‐derived N‐spiro quaternary ammonium salts were used as phase‐transfer catalysts in the conjugate addition of nitroalkanes to chalcones and its analogues, an intriguing reversal of enantioselectivity was observed. Novel chiral catalysts have been designed and synthesized (see structure).

  朝着完美的不对称催化方向发展：当将二元醇衍生的N螺环季铵盐用作向烷烃及其类似物共轭添加硝基烷烃的相转移催化剂时，观察到了令人感兴趣的对映选择性逆转。已经设计并合成了新型手性催化剂（参见结构）。
• [EN] COMPOUNDS FOR TARGETED DEGRADATION OF BRD9<br/>[FR] COMPOSÉS POUR LA DÉGRADATION CIBLÉE DE LA BRD9
  申请人：C4 THERAPEUTICS INC

  公开号：WO2021178920A1

  公开（公告）日：2021-09-10

  BRD9 protein degradation compounds or pharmaceutically acceptable salts thereof are provided for the treatment of disorders mediated by BRD9, including but not limited to abnormal cellular proliferation.

  提供了用于治疗由BRD9介导的疾病的BRD9蛋白降解化合物或其药用盐，包括但不限于异常细胞增殖。
• Synthesis of bis(indolylmaleimide) macrocycles
  作者：Siavosh Mahboobi、Irene Dechant、Hans Reindl、Herwig Pongratz、Alfred Popp、Dieter Schollmeyer

  DOI：10.1002/jhet.5570370215

  日期：2000.3

  The synthesis of a novel class of macrocyclic bis(indolylmaleimides) is reported. The key step involves the intermolecular connection of 2,2′-bridged indoles with 3,4-dibromo-2,5-dihydro-1H-2,5-pyrroledione (dibromomaleimide) derivatives. The bis(indolylmaleimides) afforded by this method were further processed by intramolecular nucleophilic substitution of the remaining bromo substituents forming

  报道了一类新型的大环双（吲哚基马来酰亚胺）的合成。关键步骤涉及2,2'-桥吲哚与3,4-二溴-2,5-二氢-1 H -2,5-吡咯二酮（二溴马来酰亚胺）衍生物的分子间连接。通过该方法提供的双（吲哚基马来酰亚胺）进一步加工，通过分子内亲核取代其余的溴取代基，形成柔性的N-取代大环（9a-9j，10a-10e），并通过连接两个马来酰亚胺，形成半刚性大环（7a-7xx））。