1-Benzothiepin-1-oxid | 117985-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 1-Benzothiepin-1-oxid
• 英文别名: 1-benzothiepine oxide；1lambda4-Benzothiepine 1-oxide；1λ4-benzothiepine 1-oxide
• CAS: 117985-24-7
• 化学式: C₁₀H₈OS
• 分子量: 176.239
• InChiKey: NGRBMFUKCVNLPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzothiepin-1-oxid 反应 1.0h， 生成 萘
  参考文献：
  名称：

  Nishino, Keitaro; Ishigami, Sumiko; Tamura, Yutaka, Angewandte Chemie, 1988, vol. 100, # 12, p. 1785 - 1786

  摘要：

  DOI：
• 作为产物：
  描述：

  以 四氢呋喃 为溶剂， 生成 1-Benzothiepin-1-oxid
  参考文献：
  名称：

  Murata, Ichiro, Phosphorus, Sulfur and Silicon and the Related Elements, 1989, vol. 43, # 3-4, p. 243 - 260

  摘要：

  DOI：

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE<br/>[FR] COMPOSÉS ANTIBACTÉRIENS ET PROCÉDÉS POUR LEUR UTILISATION
  申请人：PTC THERAPEUTICS INC

  公开号：WO2013033228A1

  公开（公告）日：2013-03-07

  The present description relates to compounds and forms and pharmaceutical compositions thereof and methods for use thereof to treat or ameliorate bacterial infections caused by wild-type and multi-drug resistant Gram-negative and Gram-positive pathogens. The present description further relates to a compound having activity toward wild-type and MDR bacteria. The present description also relates to a compound having activity against quinolone-resistant Gram-negative strains (including MDR strains) as well as antibacterial activity to MDR resistant Gram-positive pathogens (including MRSA strains).

  本描述涉及化合物、形式、以及其制药组合物，以及治疗或改善由野生型和多药耐药革兰氏阴性和革兰氏阳性病原体引起的细菌感染的方法。本描述还涉及一种对野生型和MDR细菌具有活性的化合物。本描述还涉及一种对喹诺酮耐药革兰氏阴性菌株（包括MDR菌株）具有活性以及对MDR耐药革兰氏阳性病原体（包括MRSA菌株）具有抗菌活性的化合物。
• [EN] SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS POLYCYCLIQUES SUBSTITUÉS
  申请人：PTC THERAPEUTICS INC

  公开号：WO2016025932A1

  公开（公告）日：2016-02-18

  The present description relates to substituted polycyclic compounds of Formula (I), Formula (II) or Formula (III): wherein the dashed line represents an optional double bond and Rl, R2, R4, R5, R7, X and Z are as defined herein, and forms and compositions thereof, and also relates to uses of a compound of Formula (I), Formula (II) or Formula (III) or a form thereof and methods for treating or ameliorating Neisseria gonorrhoeae (N. gonorrhoeae) in a subject in need thereof comprising, administering an effective amount of the compound to the subject.

  本描述涉及公式（I）、公式（II）或公式（III）的取代多环化合物：其中虚线代表可选的双键，R1、R2、R4、R5、R7、X和Z的定义如本文所述，以及其形式和组成物，并且涉及使用公式（I）、公式（II）或公式（III）的化合物或其形式以及治疗或缓解需治疗淋病双球菌（N. gonorrhoeae）的患者的方法，包括向患者施用化合物的有效量。
• RYANODINE CHANNEL BINDERS AND USES THEREOF
  申请人：Corey Elias James

  公开号：US20110263569A1

  公开（公告）日：2011-10-27

  Increasing the affinity of calstabin-2 for the cardiac calcium channel RyR2 and thereby stabilizing the channel in the closed state has recently been identified as novel mechanism for treating heart failure, particularly ventricular arrhythmias. JTV-519, a 1,4-benzothiazepine derivative, has been shown to stabilize the calstabin2/RyR2 complex. Novel derivatives of JTV-519 that may be useful in treatment or prevention of heart failure, atrial fibrillation, or exercise-induced cardiac arrhythmias are provided. Synthetic methodology and intermediates in the synthesis of the inventive JTV-519 derivatives are also described.

  增加calstabin-2与心脏钙通道RyR2之间的亲和力，从而稳定通道处于关闭状态，最近被确认为治疗心力衰竭、特别是心室心律失常的新机制。已经证明，1,4-苯并噻唑衍生物JTV-519可以稳定calstabin2/RyR2复合物。提供了JTV-519的新衍生物，这些衍生物可能在治疗或预防心力衰竭、心房颤动或运动引起的心律失常中有用。还描述了创新JTV-519衍生物的合成方法和中间体。
• ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE
  申请人：PTC THERAPEUTICS, INC.

  公开号：US20150038438A1

  公开（公告）日：2015-02-05

  The present description relates to compounds and forms and pharmaceutical compositions thereof and methods for use thereof to treat or ameliorate bacterial infections caused by wild-type and multi-drug resistant Gram-negative and Gram-positive pathogens.

  本说明涉及化合物及其形式，以及制药组合物和使用方法，用于治疗或改善由野生型和多重耐药革兰氏阴性和革兰氏阳性病原体引起的细菌感染。
• [EN] RYANODINE CHANNEL BINDERS AND USES THEREOF<br/>[FR] LIANTS AUX CANAUX DE LA RYANODINE ET LEURS UTILISATIONS
  申请人：HARVARD COLLEGE

  公开号：WO2009026444A1

  公开（公告）日：2009-02-26

  Increasing the affinity of calstabin-2 for the cardiac calcium channel RyR2 and thereby stabilizing the channel in the closed state has recently been identified as as novel mechanism for treating heart failure, particularly ventricular arrhythmias. JTV-519, a 1,4- benzothiazepine derivative, has been shown to stabilize the calstabin2/RyR2 complex. Novel derivatives of JTV-519 that may be useful in treatment or prevention of heart failure, atrial fibrillation, or exericse-induced cardiac arrhythmias are provided. Synthetic methodology and intermediates in the synthesis of the inventive JTV-519 derivatives are also described.