4-(3-Phenylphenyl)-1,2,3,6-tetrahydropyridine | 185132-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(3-Phenylphenyl)-1,2,3,6-tetrahydropyridine
• CAS: 185132-68-7
• 化学式: C₁₇H₁₇N
• 分子量: 235.329
• InChiKey: BBPBBXMDHAUWHA-UHFFFAOYSA-N

物化性质

• 沸点：
  407.2±44.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  4-(3-Phenylphenyl)-1,2,3,6-tetrahydropyridine 在 氯磺酸 、 草酰氯 、 五氯化磷 、 水 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 (2R)-N-hydroxy-1-[[4-(3-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxamide
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076
• 作为产物：
  描述：

  3,6-二氢-4-[[(三氟甲基)磺酰]氧基]-1(2H)-吡啶甲酸叔丁酯 在 盐酸 、 palladium diacetate 、 sodium hydroxide 作用下， 生成 4-(3-Phenylphenyl)-1,2,3,6-tetrahydropyridine
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076

文献信息

• Carboxyamine Compounds and Methods of Use Thereof
  申请人：Dobler Markus Rolf

  公开号：US20080255149A1

  公开（公告）日：2008-10-16

  The invention relates to the use of carboxyamine compounds and salts thereof in the treatment of HDAC dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases.

  本发明涉及使用羧酰胺化合物及其盐来治疗依赖HDAC的疾病，并用于制造治疗该类疾病的药物制剂。
• CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES
  申请人：NOVARTIS AG

  公开号：EP1996550A2

  公开（公告）日：2008-12-03
• US5712285A
  申请人：——

  公开号：US5712285A

  公开（公告）日：1998-01-27
• [EN] CARBOXYAMINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSES DE CARBOXYAMINE ET LEURS METHODES D'UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2007038459A2

  公开（公告）日：2007-04-05

  [EN] The invention relates to the use of carboxyamine compounds and salts thereof in the treatment of HDAC dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases.
  [FR] L'invention porte sur des composés de carboxyamine et leurs sels s'utilisant pour le traitement de maladies dépendant du HDAC, et pour la fabrication de préparations pharmaceutiques utilisées pour traiter lesdites maladies.
• Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs
  作者：Jian Jeffrey Chen、Nolan Dewdney、Xiaohong Lin、Robert L Martin、Keith A.M Walker、Jane Huang、Frances Chu、Elsie Eugui、Anna Mirkovich、Yong Kim、Keshab Sarma、Humberto Arzeno、Harold E Van Wart

  DOI：10.1016/j.bmcl.2003.08.076

  日期：2003.11

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.