(S)-(-)-1-(4-氰基苯基)乙胺 | 36244-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (S)-(-)-1-(4-氰基苯基)乙胺
• 中文别名: (S)-1-(4-氰基苯基)乙胺
• 英文名称: (S)-4-(1-aminoethyl)benzonitrile
• 英文别名: 4-[(1S)-1-aminoethyl]benzonitrile
• CAS: 36244-70-9
• 化学式: C₉H₁₀N₂
• 分子量: 146.192
• InChiKey: CANLULJYEHSQFU-ZETCQYMHSA-N

物化性质

• 沸点：
  273.7±23.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  (S)-(-)-1-(4-氰基苯基)乙胺 在 caesium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 1,4,7,10-tetrakis<(S)-1-(4-cyanophenyl)ethylcarbamoylmethyl>-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Synthesis, Time-Resolved Luminescence, NMR Spectroscopy, Circular Dichroism and Circularly Polarised Luminescence Studies of Enantiopure Macrocyclic Lanthanide Tetraamide Complexes

  摘要：

  The syntheses and properties of a series of lanthanide complexes (Ln = Eu, Tb, Dy, Yb) of C-4 symmetric chiral tetraamide ligands based on 1,4,7,10-tetraazacyclododecane are reported. The configuration of the chiral centre at carbon in the amide substituent (CH2NHCO-CH(Me)Ar) determines the helicity of the derived complex and the configuration of the macrocyclic ring. The enantiopure lanthanide complexes do not undergo Delta/Lambda interconversion in the temperature range 220 to 320 K and three complexes have been characterised by X-ray crystallography, revealing nine-coordination about the lanthanide ion (Ln=Eu, Dy) with a monocapped square-antiprismatic coordination geometry. The terbium complexes are highly emissive in aqueous solution following excitation into the aryl chromophore (e.g. for [Tb .(R)-7a](3+) phi H2O = 0.49; phi D2O = 0.81) and all of the lanthanide complexes exhibit strong circularly polarised luminescence. The ytterbium complexes (e.g. [Yb .(S)-5b](3+)) shows a strong near-IR CD and circularly polarised luminescence (CPL) associated with the F-2(5/2)-F-2(7/2) transition. Overall, these emissive complexes allow control in modulating both the frequency and the polarisation of emitted light in aqueous solution.

  DOI：

  10.1002/(sici)1521-3765(19990301)5:3<1095::aid-chem1095>3.0.co;2-c
• 作为产物：
  描述：

  (S)-N-乙酰-1-(4-溴苯基)乙胺 在 盐酸 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 66.0h， 生成 (S)-(-)-1-(4-氰基苯基)乙胺
  参考文献：
  名称：

  Synthesis, Time-Resolved Luminescence, NMR Spectroscopy, Circular Dichroism and Circularly Polarised Luminescence Studies of Enantiopure Macrocyclic Lanthanide Tetraamide Complexes

  摘要：

  The syntheses and properties of a series of lanthanide complexes (Ln = Eu, Tb, Dy, Yb) of C-4 symmetric chiral tetraamide ligands based on 1,4,7,10-tetraazacyclododecane are reported. The configuration of the chiral centre at carbon in the amide substituent (CH2NHCO-CH(Me)Ar) determines the helicity of the derived complex and the configuration of the macrocyclic ring. The enantiopure lanthanide complexes do not undergo Delta/Lambda interconversion in the temperature range 220 to 320 K and three complexes have been characterised by X-ray crystallography, revealing nine-coordination about the lanthanide ion (Ln=Eu, Dy) with a monocapped square-antiprismatic coordination geometry. The terbium complexes are highly emissive in aqueous solution following excitation into the aryl chromophore (e.g. for [Tb .(R)-7a](3+) phi H2O = 0.49; phi D2O = 0.81) and all of the lanthanide complexes exhibit strong circularly polarised luminescence. The ytterbium complexes (e.g. [Yb .(S)-5b](3+)) shows a strong near-IR CD and circularly polarised luminescence (CPL) associated with the F-2(5/2)-F-2(7/2) transition. Overall, these emissive complexes allow control in modulating both the frequency and the polarisation of emitted light in aqueous solution.

  DOI：

  10.1002/(sici)1521-3765(19990301)5:3<1095::aid-chem1095>3.0.co;2-c

文献信息

• BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas Operations, Inc.

  公开号：US20190300521A1

  公开（公告）日：2019-10-03

  The present disclosure relates to bifunctional compounds, which find utility as modulators of SMARCA2 or BRM (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a ligand that binds to the Von Hippel-Lindau E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为SMARCA2或BRM（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合Von Hippel-Lindau E3泛素连接酶的配体，另一端结合靶蛋白的双功能化合物，使得靶蛋白与泛素连接酶靠近以实现靶蛋白的降解（和抑制）。本公开展示了与靶蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。
• [EN] 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS<br/>[FR] DÉRIVÉS DE 5-(BIPHÉNYL-4-YL)-3-PHÉNYL-1,2,4-OXADIAZOLYLE COMME LIGANDS SUR LES RÉCEPTEURS AU SPHINGOSINE-1-PHOSPHATE (S1P)
  申请人：MERCK SERONO SA

  公开号：WO2012004287A1

  公开（公告）日：2012-01-12

  The present invention provides compounds of Formula (I), as selective S1 P1 inhibitors, as well as their use for treating multiple sclerosis and other diseases.

  本发明提供了化合物I的公式，作为选择性S1 P1抑制剂，以及它们用于治疗多发性硬化症和其他疾病的用途。
• Structural modifications of the serotonin 5-HT7 receptor agonist N-(4-cyanophenylmethyl)-4-(2-biphenyl)-1-piperazinehexanamide (LP-211) to improve in vitro microsomal stability: A case study
  作者：Enza Lacivita、Sabina Podlewska、Luisa Speranza、Mauro Niso、Grzegorz Satała、Roberto Perrone、Carla Perrone-Capano、Andrzej J. Bojarski、Marcello Leopoldo

  DOI：10.1016/j.ejmech.2016.05.005

  日期：2016.9

  and α1 adrenergic receptors. Compound 50 showed 3-fold higher in vitro stability towards oxidative metabolism than 1 and was able to stimulate neurite outgrowth in neuronal primary cultures through the 5-HT7 receptor in a shorter time and at a lower concentration than the agonist 1. A preliminary disposition study in mice revealed that compound 50 was metabolically stable and was able to pass the blood–brain

  5-HT 7血清素受体正在揭示神经发育和神经精神疾病的创新治疗策略的有希望的目标。在这里，我们报告选择性和脑渗透5-HT 7受体激动剂LP-211（1）的三十个长链芳基哌嗪类似物的合成，旨在增强对微粒体氧化代谢的稳定性。使用了常用的药物化学策略（例如，降低了整体的亲脂性，引入了吸电子基团，阻断了可能的新陈代谢易位部位）和体外测试了微粒体的稳定性。数据表明，采用的设计策略不会直接转化为稳定性的提高。相反，化合物的代谢稳定性与在分子的明确定义的区域中特定取代基的存在有关。收集的数据允许构建机器学习模型，该模型在给定的化学空间内能够描述和定量预测化合物的代谢稳定性。大部分的合成的化合物的保持高亲和性对5-HT 7种受体，并显示向选择性5-HT 6和多巴胺d 2个受体和不同的选择性5-HT 1A和α 1个肾上腺素能受体。化合物50表现出比1高3倍的体外抗氧化代谢稳定性，并且能够通过5-HT 7受体
• [EN] C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE<br/>[FR] STÉROÏDES NEUROACTIFS SUBSTITUÉS EN C17, C20 ET C21 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2018013613A1

  公开（公告）日：2018-01-18

  Described herein are neuroactive steroids or a pharmaceutically acceptable salt thereof. Such compounds are envisioned, in certain embodiments, to behave as GABA modulators. Also provided are pharmaceutical compositions comprising a compound described herein and methods of use and treatment, e.g., such as for inducing sedation and/or anesthesia.

  本文描述了神经活性类固醇或其药用可接受盐。在某些实施例中，这些化合物被设想为GABA调节剂。还提供了包括本文描述的化合物的药物组合物以及使用和治疗方法，例如用于诱导镇静和/或麻醉。
• [EN] MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE<br/>[FR] MODULATEURS DU RÉCEPTEUR DES ŒSTROGÈNES DE PROTÉOLYSE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：ARVINAS INC

  公开号：WO2018140809A1

  公开（公告）日：2018-08-02

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a cereblon, Von Hippel-Lindau ligase-binding moiety, Inhibitors of Apotosis Proteins, or mouse double-minute homolog 2 ligand, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为雌激素受体（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端为 cereblon、Von Hippel-Lindau 配体结合基团、凋亡抑制蛋白或鼠双分子同源物 2 配体的双功能化合物，该化合物与相应的 E3 泛素连接酶结合，并且另一端含有结合靶蛋白的基团，使得靶蛋白与泛素连接酶靠近，以实现对靶蛋白的降解（和抑制）。本公开展示了与靶蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。