2-(2,2-二氟乙氧基)溴苯 | 946605-55-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2,2-二氟乙氧基)溴苯
• 英文名称: 1-bromo-2-(2,2-difluoroethoxy)benzene
• CAS: 946605-55-6
• 化学式: C₈H₇BrF₂O
• mdl: MFCD11036116
• 分子量: 237.044
• InChiKey: STMKNINOKNUOGI-UHFFFAOYSA-N

物化性质

• 沸点：
  234.5±40.0 °C(Predicted)
• 密度：
  1.505±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  2-(2,2-二氟乙氧基)溴苯 在 palladium on activated charcoal 正丁基锂 、 氢气 、 甲基磺酰氯 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， -78.0~20.0 ℃ 、310.27 kPa 条件下， 反应 24.0h， 生成 4-[2-(2,2-Difluoroethoxy)phenyl]piperidine
  参考文献：
  名称：

  (Phenylpiperidinyl)cyclohexylsulfonamides: Development of α1a/1d-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS)

  摘要：

  Although alpha(1), adrenergic receptor blockers can be very effective for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS), their usage is limited by CV-related side-effects that are caused by the subtype non-selective nature of the current drugs. To overcome this problem, it was hypothesized that a alpha(1a/1d) subtype selective antagonist would bring more benefit for the therapy of BPH/LUTS. In developing such selective alpha(1a/1d) ligands, a series of (phenylpiperidinyl)cyclohexylsulfonamides has been synthesized and evaluated for binding to three cloned human alpha(1)-adrenergic receptor subtypes. Many compounds showed equal affinity for both alpha(1a) and alpha(1d) subtypes with good selectivity versus the alpha(1b) subtype. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.098
• 作为产物：
  描述：

  2-溴苯酚 在 potassium carbonate 作用下， 生成 2-(2,2-二氟乙氧基)溴苯
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  本发明提供了一种具有葡糖鞘氨醇合成酶抑制作用的化合物，预计可用作预防或治疗溶酶体贮存病（如高氏病、法布里病、GM1-神经节苷脂沉积症、GM2活化剂缺乏症、泰-萨克斯病、桑德霍夫病）、神经退行性疾病（如帕金森病、Lewy体痴呆、多系统萎缩症）等的药物。本发明涉及一种由式（I）表示的化合物，其中每个符号如说明书所述，或其盐。

  公开号：

  US20220274982A1

文献信息

• COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES
  申请人：Novartis AG

  公开号：US20210115065A1

  公开（公告）日：2021-04-22

  The present invention provides a compound of formula (Ia) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, solid forms, combinations of pharmacologically active agents, pharmaceutical compositions and methods of using such compounds and solid forms thereof to treat or prevent parasitic diseases, for example malaria.

  本发明提供了化合物(Ia)的结构或其药学上可接受的盐； 一种制造本发明化合物的方法，固体形式，药理活性剂的组合，药物组合物以及使用这些化合物和固体形式来治疗或预防寄生虫病，例如疟疾的方法。
• [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES PARASITAIRES
  申请人：NOVARTIS AG

  公开号：WO2021078120A1

  公开（公告）日：2021-04-29

  Provided herein are a compound of formula (Ia) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, solid forms, combinations of pharmacologically active agents, pharmaceutical compositions and methods of using such compounds and solid forms thereof to treat or prevent parasitic diseases, for example malaria.
• (Phenylpiperidinyl)cyclohexylsulfonamides: Development of α1a/1d-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS)
  作者：George Chiu、Shengjian Li、Peter J. Connolly、Virginia Pulito、Jingchun Liu、Steven A. Middleton

  DOI：10.1016/j.bmcl.2007.04.098

  日期：2007.7

  Although alpha(1), adrenergic receptor blockers can be very effective for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS), their usage is limited by CV-related side-effects that are caused by the subtype non-selective nature of the current drugs. To overcome this problem, it was hypothesized that a alpha(1a/1d) subtype selective antagonist would bring more benefit for the therapy of BPH/LUTS. In developing such selective alpha(1a/1d) ligands, a series of (phenylpiperidinyl)cyclohexylsulfonamides has been synthesized and evaluated for binding to three cloned human alpha(1)-adrenergic receptor subtypes. Many compounds showed equal affinity for both alpha(1a) and alpha(1d) subtypes with good selectivity versus the alpha(1b) subtype. (C) 2007 Elsevier Ltd. All rights reserved.
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20220274982A1

  公开（公告）日：2022-09-01

  The present invention provides a compound having a glucosylceramide synthase inhibitory action, which is expected to be useful as an agent for the prophylaxis or treatment of lysosomal storage diseases (e.g., Gaucher's disease, Fabry's disease, GM1-gangliosidosis, GM2 activator deficiency, Tay-Sachs disease, Sandhoffs disease), neurodegenerative diseases (e.g., Parkinson's disease, Lewy body dementia, multiple-system atrophy) and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as described in the description, or a salt thereof.

  本发明提供了一种具有葡糖鞘氨醇合成酶抑制作用的化合物，预计可用作预防或治疗溶酶体贮存病（如高氏病、法布里病、GM1-神经节苷脂沉积症、GM2活化剂缺乏症、泰-萨克斯病、桑德霍夫病）、神经退行性疾病（如帕金森病、Lewy体痴呆、多系统萎缩症）等的药物。本发明涉及一种由式（I）表示的化合物，其中每个符号如说明书所述，或其盐。