2,2,2-trifluoro-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)acetamide | 1050325-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2,2,2-trifluoro-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)acetamide
• CAS: 1050325-47-7
• 化学式: C₁₂H₁₀F₃NO₂
• 分子量: 257.212
• InChiKey: KDYIVXBRLQJKII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)acetamide 在 borane tetrahydrofuran 作用下， 反应 2.0h， 生成 2,2,2-trifluoro-N-((1S,4R)-4-hydroxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-acetamide
  参考文献：
  名称：

  Discovery of a potent, selective, and less flexible selective norepinephrine reuptake inhibitor (sNRI)

  摘要：

  The design, synthesis, and SAR of a series of ring-constrained norepinephrine reuptake inhibitors are described. A substantially rigid inhibitor with potent functional activity at the transporter (IC(50) = 8 nM) was used to develop a model for the distance and orientation of key features necessary for interaction with the norepinephrine transporter (NET). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.057
• 作为产物：
  描述：

  2,2,2-trifluoro-N-(S)-1,2,3,4-tetrahydronaphthalen-1-yl-acetamide 在 chromium(VI) oxide 、 乙酸酐 作用下， 反应 0.67h， 以78%的产率得到2,2,2-trifluoro-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)acetamide
  参考文献：
  名称：

  Discovery of a potent, selective, and less flexible selective norepinephrine reuptake inhibitor (sNRI)

  摘要：

  The design, synthesis, and SAR of a series of ring-constrained norepinephrine reuptake inhibitors are described. A substantially rigid inhibitor with potent functional activity at the transporter (IC(50) = 8 nM) was used to develop a model for the distance and orientation of key features necessary for interaction with the norepinephrine transporter (NET). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.057

文献信息

• 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION
  申请人：Lu Yingchun

  公开号：US20080085898A1

  公开（公告）日：2008-04-10

  The present invention provides novel purines useful for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection. The compounds are of the general formula I:

  本发明提供了一种新型嘌呤，用于预防和治疗自身免疫疾病、炎症性疾病、肥大细胞介导的疾病和移植排斥反应。这些化合物的一般式为I：
• [EN] 2,7,9-SUBSTITUTED PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION<br/>[FR] DÉRIVÉS DE PURINONE SUBSTITUÉS EN POSITION 2, 7 ET 9 POUR L'IMMUNOSUPPRESSION
  申请人：PHARMACOPEIA INC

  公开号：WO2009048474A1

  公开（公告）日：2009-04-16

  The present invention provides novel purinone and related derivatives useful for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection. The compounds are of the general formula (I).

  本发明提供了一种新型的嘌呤酮和相关衍生物，用于预防和治疗自身免疫疾病、炎症性疾病、肥大细胞介导的疾病和移植排斥反应。这些化合物的一般结构式为（I）。
• PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION
  申请人：Ohlmeyer Michael J.

  公开号：US20080287468A1

  公开（公告）日：2008-11-20

  The present invention provides novel purine and imidazopyridine derivatives useful for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection. The compounds are of the general formulas:

  本发明提供了新型嘌呤和咪唑吡啶衍生物，用于预防和治疗自身免疫性疾病、炎症性疾病、肥大细胞介导的疾病和移植排斥。这些化合物的一般式如下：
• DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：EP2788345B1

  公开（公告）日：2020-06-10
• KINASE INHIBITORS
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：EP3004097B1

  公开（公告）日：2018-01-17