4-(benzo[1,3]dioxol-5-ylsulfanyl)-2-methyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[e][1,2]thiazine-3-carboxylic acid | 182163-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 4-(benzo[1,3]dioxol-5-ylsulfanyl)-2-methyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[e][1,2]thiazine-3-carboxylic acid
• 英文别名: 4-(1,3-Benzodioxol-5-ylsulfanyl)-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylic acid；4-(1,3-benzodioxol-5-ylsulfanyl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylic acid
• CAS: 182163-32-2
• 化学式: C₁₇H₁₃NO₆S₂
• 分子量: 391.425
• InChiKey: PQUJRNGTEHIOPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  甲基物 生成 4-(benzo[1,3]dioxol-5-ylsulfanyl)-2-methyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[e][1,2]thiazine-3-carboxylic acid
  参考文献：
  名称：

  Benzothiazine dioxides as endothelin antagonists

  摘要：

  描述了一种新型苯并噻嗪二氧化物，它们是内皮素拮抗剂，以及用于它们制备的新型中间体，制备方法，以及相同的药物组合物，这些药物组合物在治疗内皮素水平升高、肾血管性恶性高血压和肺动脉高压、脑梗死、脑缺血、充血性心力衰竭和蛛网膜下腔出血方面是有用的。

  公开号：

  US05599811A1

文献信息

• [EN] BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS<br/>[FR] DIOXYDES DE BENZOTHIAZINE UTILISES COMME ANTAGONISTES DE L'ENDOTHELINE
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1996026195A1

  公开（公告）日：1996-08-29

  (EN) Novel benzothiazine dioxides which are antagonists of endothelin are described, as well as novel intermediates used in their preparation, methods for the preparation, and pharmaceutical compositions of the same, which are useful in treating elevated levels of endohelin, essential renovascular malignant and pulmonary hypertension, cerebral infarction, cerebral ischemia, congestive heart failure, and subarachnoid hemorrhage.(FR) La présente invention concerne de nouveaux dioxydes de benzothiazine qui sont des antagonistes de l'endothéline, ainsi que de nouveaux intermédiaires utilisés pour leur préparation, des procédés de préparation et des compositions pharmaceutiques à base de ces nouveaux dioxydes de benzothiazine. Ces nouveaux dioxydes de benzothiazine sont utiles dans le traitement des niveaux élevés d'endothéline, de l'hypertension artérielle rénovasculaire et pulmonaire essentielle maligne, de l'infarctus cérébral, de l'insuffisance cardiaque congestive et de l'hémorragie sous-arachnoïdienne.

  描述了一种新的苯并噻唑二氧化物，它们是内皮素拮抗剂，以及用于它们的制备的新中间体，制备方法和相应的药物组成物，这些药物组成物在治疗内皮素水平升高、重要肾血管恶性和肺动脉高压、脑梗死、脑缺血、充血性心力衰竭和蛛网膜下腔出血方面有用。
• Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic
  申请人：——

  公开号：US20030232787A1

  公开（公告）日：2003-12-18

  The present invention is a novel combination effective for alleviating pain comprising a pain alleviating effective amount of an endothelin receptor antagonist or a pharmaceutically acceptable salt thereof and from 1 to 3 compounds independently selected from the group consisting of antiepileptic compounds having pain alleviating properties and analgesics, and pharmaceutically acceptable salts thereof, and pharmaceutical compositions comprising same. The administration of endothelin receptor antagonists in these novel combinations results in an improved reduction in the frequency and severity of pain. The incidence of unwanted side effects can be reduced by these novel combinations in comparison to using higher doses of a single agent treatment to achieve a similar therapeutic effect. The present invention is also directed to methods of using effective amounts of the novel combinations and pharmaceutical compositions thereof to treat pain in mammals, including a human.

  本发明是一种有效缓解疼痛的新型复方制剂，它包含缓解疼痛有效量的内皮素受体拮抗剂或其药学上可接受的盐，以及1至3种独立选自具有缓解疼痛特性的抗癫痫化合物和镇痛剂及其药学上可接受的盐组成的化合物，以及包含这些化合物的药物组合物。在这些新型组合物中施用内皮素受体拮抗剂，可有效降低疼痛的频率和严重程度。与使用较大剂量的单药治疗以达到类似的治疗效果相比，这些新型组合物可以降低不希望出现的副作用的发生率。本发明还涉及使用有效量的新型组合物及其药物组合物治疗哺乳动物（包括人类）疼痛的方法。
• BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0811001B1

  公开（公告）日：2001-10-31
• COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1289558A2

  公开（公告）日：2003-03-12
• [EN] COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC<br/>[FR] COMBINAISONS D'UN ANTAGONISTE DE RECEPTEUR D'ENDOTHELINE ET COMPOSE ANTI-EPILEPTIQUE PRESENTANT DES PROPRIETES ANALGESIQUES OU DE SOULAGEMENT DE LA DOULEUR
  申请人：WARNER LAMBERT CO

  公开号：WO2001091736A2

  公开（公告）日：2001-12-06

  The present invention is a novel combination effective for alleviating pain comprising a pain alleviating effective amount of an endothelin receptor antagonist or a pharmaceutically acceptable salt thereof and from 1 to 3 compounds independently selected from the group consisting of antiepileptic compounds having pain alleviating properties and analgesics, and pharmaceutically acceptable salts thereof, and pharmaceutical compositions comprising same. The administration of endothelin receptor antagonists in these novel combinations results in an improved reduction in the frequency and severity of pain. The incidence of unwanted side effects can be reduced by these novel combinations in comparison to using higher doses of a single agent treatment to achieve a similar therapeutic effect. The present invention is also directed to methods of using effective amounts of the novel combinations and pharmaceutical compositions thereof to treat pain in mammals, including a human.