1-(3-溴苯基)环戊烷-1-腈 | 143328-18-1

• 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: 1-(3-溴苯基)环戊烷-1-腈
• 英文名称: 1-(3-bromophenyl)cyclopentanecarbonitrile
• 英文别名: 1-(3-bromophenyl)cyclopentane-1-carbonitrile
• CAS: 143328-18-1
• 化学式: C₁₂H₁₂BrN
• 分子量: 250.138
• InChiKey: QHQZRWPINSOWTL-UHFFFAOYSA-N

物化性质

• 沸点：
  362.4±35.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-溴苯基)环戊烷-1-腈 在 氢氧化钾 、 氯化亚砜 作用下， 以 苯 为溶剂， 反应 20.0h， 生成 1-(3-Bromophenyl)cyclopentane-1-carbonyl chloride
  参考文献：
  名称：

  Synthesis and antibacterial properties of halogen-containing 1-phenylcyclopentyl-1-penicillins and -1-cephalosporins

  摘要：

  DOI：

  10.1007/bf00766460
• 作为产物：
  描述：

  1,4-二溴丁烷 、 3-溴氰苄 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 2.75h， 以75%的产率得到1-(3-溴苯基)环戊烷-1-腈
  参考文献：
  名称：

  [EN] PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  [FR] DÉRIVÉS DE PYRIMIDONE ET LEUR UTILISATION DANS LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION D'UNE MALADIE VIRALE

  摘要：

  本发明涉及具有通式（I）的化合物，可选地为药学上可接受的盐、溶剂合物、多晶形、共药、共晶体、前药、互变异构体、消旋体、对映体或二对映体或其混合物，用于治疗、改善或预防病毒性疾病，特别是流感。

  公开号：

  WO2017158151A1

文献信息

• [EN] NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES<br/>[FR] NOUVEAUX DÉRIVÉS BICYCLIQUES PRÉSENTANT UNE ACTIVITÉ AGONISTE DU RÉCEPTEUR BÊTA-2 ADRÉNERGIQUE ET UNE ACTIVITÉ ANTAGONISTE DU RÉCEPTEUR MUSCARINIQUE M3
  申请人：ALMIRALL SA

  公开号：WO2016046390A1

  公开（公告）日：2016-03-31

  The present invention relates to novel compounds having β2 adrenergic agonist and M3 muscarinic antagonist dual activity, to pharmaceutical compositions containing them, to the process for their preparation and to their use in respiratory therapies.

  本发明涉及具有β2肾上腺素受体激动剂和M3肌样受体拮抗剂双重活性的新化合物，包含它们的药物组合物，它们的制备过程以及它们在呼吸疗法中的应用。
• Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities
  申请人：Almirall, S.A.

  公开号：US10005771B2

  公开（公告）日：2018-06-26

  The present invention relates to novel compounds having β2 adrenergic agonist and M3 muscarinic antagonist dual activity, to pharmaceutical compositions containing them, to the process for their preparation and to their use in respiratory therapies.

  本发明涉及具有β2肾上腺素能激动剂和M3毒蕈碱拮抗剂双重活性的新型化合物、含有这些化合物的药物组合物、其制备过程以及在呼吸治疗中的应用。
• Meta-Selective C–H Functionalization Using a Nitrile-Based Directing Group and Cleavable Si-Tether
  作者：Sunggi Lee、Hyelee Lee、Kian L. Tan

  DOI：10.1021/ja4107034

  日期：2013.12.18

  A nitrile-based template that enables metaselective C-H bond functionalization was developed. The template is applicable to a range of substituted arenes and tolerates a variety of functional groups. The directing group uses a silicon atom for attachment, allowing for a facile introduction/deprotection strategy increasing the synthetic practicality of this template.
• Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis
  作者：Philip N. Collier、Heather C. Twin、Ronald M. A. Knegtel、Dean Boyall、Guy Brenchley、Christopher J. Davis、Shazia Keily、Chau Mak、Andrew Miller、Françoise Pierard、Luca Settimo、Clare M. Bolton、Peter Chiu、Adam Curnock、Elisabeth Doyle、Adam J. Tanner、Juan-Miguel Jimenez

  DOI：10.1021/acsmedchemlett.9b00134

  日期：2019.8.8

  PKC theta plays an important role in T cell biology and is a validated target for a number of disease states. A series of potent and selective PKC theta inhibitors were designed and synthesized starting from a HTS hit compound. Cell activity, while initially a challenge to achieve, was built into the series by transforming the nitrile unit of the scaffold into a primary amine, the latter predicted to form a new hydrogen bond to Asp508 near the entrance of the ATP binding site of PKC theta. Significant improvements in physiochemical parameters were observed on introduction of an oxetane group proximal to a primary amine leading to compound 22, which demonstrated a reduction of symptoms in a mouse model of multiple sclerosis.
• NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES
  申请人：Almirall S.A.

  公开号：EP3197879B1

  公开（公告）日：2020-02-26