7-bromothiochromane 1,1-dioxide | 855997-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: 7-bromothiochromane 1,1-dioxide
• 英文别名: 7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione；7-bromo-3,4-dihydro-2H-thiochromene 1,1-dioxide
• CAS: 855997-37-4
• 化学式: C₉H₉BrO₂S
• 分子量: 261.139
• InChiKey: DMJMKTQTDONYHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-bromothiochromane 1,1-dioxide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~130.0 ℃ 、517.12 kPa 条件下， 反应 16.33h， 生成 N-(2-oxo-2-((4-phenylthiazol-2-yl)amino)ethyl)thiochroman-7-carboxamide 1,1-dioxide
  参考文献：
  名称：

  [EN] SMARCA DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE SMARCA ET UTILISATIONS ASSOCIÉES

  摘要：

  本发明提供化合物、其组合物以及使用它们的方法。

  公开号：

  WO2022178532A1
• 作为产物：
  描述：

  7-溴硫代苯并二氢吡喃-4-酮 在 三乙基硅烷 、 Oxone 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 生成 7-bromothiochromane 1,1-dioxide
  参考文献：
  名称：

  [EN] SMARCA DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE SMARCA ET UTILISATIONS ASSOCIÉES

  摘要：

  本发明提供化合物、其组合物以及使用它们的方法。

  公开号：

  WO2022178532A1

文献信息

• [EN] BENZOTHIOPHENE-AND BENZOTHIOCHROMENE-COMPRISING DERIVATIVES OF PHENETHANOLAMINE FOR THE TREATMENT<br/>[FR] BENZOTHIOPHENE- ET BENZOTHIOCHROMENE- COMPRENANT DES DERIVES DE PHENETHANOLAMINE POUR TRAITEMENTS
  申请人：GLAXO GROUP LTD

  公开号：WO2005058867A1

  公开（公告）日：2005-06-30

  Compounds of formula (I) and salts, solvates, and physiologically functional derivatives thereof, useful for the prophylaxis or treatment of a clinical condition for which a selective β2-adrenoreceptor agonist is indicated, for example asthma or chronic obstructive pulmonary disease (COPD).

  公式（I）的化合物和其盐，溶剂合物以及生理学功能衍生物，可用于预防或治疗需要选择性β2-肾上腺素受体激动剂的临床病症，例如哮喘或慢性阻塞性肺疾病（COPD）。
• Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders
  申请人：Biggadike Keith

  公开号：US20070172385A1

  公开（公告）日：2007-07-26

  Compounds of formula (I): and salts, solvates, and physiologically functional derivatives thereof, useful for the prophylaxis or treatment of a clinical condition for which a selective β 2 -adrenoreceptor agonist is indicated, for example asthma or chronic obstructive pulmonary disease (COPD).

  公式(I)的化合物及其盐、溶剂合物和生理功能衍生物，可用于预防或治疗选择性β2-肾上腺素能受体激动剂适用的临床疾病，例如哮喘或慢性阻塞性肺疾病（COPD）。
• US7294650B2
  申请人：——

  公开号：US7294650B2

  公开（公告）日：2007-11-13
• ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF
  申请人：[en]ENSEM THERAPEUTICS, INC.

  公开号：WO2023244710A1

  公开（公告）日：2023-12-21

  The invention provides novel anilino-pyrazole derivatives as a cyclin-dependent kinase 2 (CDK2) inhibitors. The invention also provides pharmaceutical compositions comprising the compounds and methods thereof for treating various conditions, diseases and disorders associated with or related to CDK2 activities, or associated with abnormal cell growth, such as tumor growth and cancer.
• Discovery of a Rapidly Metabolized, Long-Acting β₂ Adrenergic Receptor Agonist with a Short Onset Time Incorporating a Sulfone Group Suitable for Once-Daily Dosing
  作者：Panayiotis A. Procopiou、Victoria J. Barrett、Keith Biggadike、Peter R. Butchers、Andrew Craven、Alison J. Ford、Stephen B. Guntrip、Duncan S. Holmes、Sara C. Hughes、Anne E. Jones、Brian E. Looker、Peter J. Mutch、Mark Ruston、Deborah Needham、Claire E. Smith

  DOI：10.1021/jm401532g

  日期：2014.1.9

  A series of novel, potent, and selective human beta(2) adrenoceptor agonists incorporating a sulfone moiety on the terminal right-hand-side phenyl ring of (R)-salmeterol is presented. Sulfone 10b had salmeterol-like potency and selectivity profile, long duration of action on guinea pig trachea, and longer than salmeterol duration of action in vivo, suitable for once-daily dosing. It had lower than salmeterol oral absorption in rat, lower bioavailability in rat and dog, and a high turnover in human hepatocytes. It was metabolized in human hepatocytes by hydroxylation, oxidation, cleavage, and conjugation; most of the metabolites would be expected to have reduced or no beta(2) activity. The 4-biphenylsulfonic acid was identified as a crystalline, non-hygroscopic salt of 10b, suitable for inhaled delivery. Furthermore, it was free of any genetic toxicity issues and was considered as a backup to vilanterol.