氢氯噻嗪杂质4 | 23141-82-4

• 物质功能分类: 化学试剂 - 有机试剂 - 肼
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 中文名称: 氢氯噻嗪杂质4
• 英文名称: 7-Sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazin-1,1-dioxid
• 英文别名: 7-Sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide；1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
• CAS: 23141-82-4
• 化学式: C₇H₉N₃O₄S₂
• 分子量: 263.298
• InChiKey: BFUXUGOZJVHVMR-UHFFFAOYSA-N

物化性质

• 熔点：
  208-210 °C
• 沸点：
  570.2±60.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  氢氯噻嗪 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 22.0h， 以85%的产率得到氢氯噻嗪杂质4
  参考文献：
  名称：

  Mild and general procedure for Pd/C-catalyzed hydrodechlorination of aromatic chlorides

  摘要：

  A mild and efficient one-pot hydrodechlorination using a Pd/C-Et3N system proceeds at room temperature, which is general for the dechlorination of a variety of aromatic chlorides. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01622-2

文献信息

• Photolytic Decomposition of Hydrochlorothiazide
  作者：Swasono R. Tamat、Douglas E. Moore

  DOI：10.1002/jps.2600720221

  日期：1983.2

  Hydrochlorothiazide decomposes upon irradiation with near-UV light (lambda greater than 310 nm) both in methanol and aqueous solutions. In the photolysis the chlorine substituent is removed to be replaced by either--H or--OR from the solvent ROH. Hydrolysis of the thiadiazine ring is superimposed upon the dechlorination. The presence of oxygen inhibits the decomposition. The mechanism of the photolysis

  氢氯噻嗪在甲醇和水溶液中均受到近紫外光（λ大于310 nm）照射后分解。在光解过程中，氯取代基被去除，被溶剂ROH中的-H或-OR取代。噻二嗪环的水解与脱氯作用叠加。氧的存在抑制了分解。建议光解的机理涉及阳离子自由基的形成，这有助于水解步骤。5-氯-2,4-二磺酰胺基苯胺（一种氢氯噻嗪的正常水解产物）也易于通过类似的机理进行光解脱氯。
• [EN] NOVEL CHEMICAL COMPUNDS AND THEIR USE<br/>[FR] COMPOSES CHIMIQUES ET LEUR UTILISATION
  申请人：BIOTA SCIENT MANAGEMENT

  公开号：WO2004050677A1

  公开（公告）日：2004-06-17

  The present invention relates to prodrugs of pharmaceutical moieties, more specifically antimicrobial agents, methods for their preparation, pharmaceutical formulations containing them and their use in the treatment of microbial infections.

  本发明涉及药用基团的前药，更具体地说是抗微生物药剂，其制备方法，含有它们的药物配方以及它们在治疗微生物感染中的应用。
• Compositions and methods for treating or preventing diseases of body passageways
  申请人：Hunter L. William

  公开号：US20050096388A1

  公开（公告）日：2005-05-05

  The present invention provides methods for treating or preventing diseases associated with body passageways, comprising the step of delivering to an external portion of the body passageway a therapeutic agent. Representative examples of therapeutic agents include anti-angiogenic factors, anti-proliferative agents, anti-inflammatory agents, and antibiotics.

  本发明提供了用于治疗或预防与身体通道相关的疾病的方法，包括将治疗剂递送到身体通道的外部部分。治疗剂的代表性例子包括抗血管生成因子、抗增殖剂、抗炎剂和抗生素。
• Dimeric pharmaceutical compounds and their use
  申请人：Jin Betty

  公开号：US20050085413A1

  公开（公告）日：2005-04-21

  The invention relates to a compound of general formula (I): X-L-Y  (I) in which X and Y are pharmaceutically active moieties which may be the same or different; and L is a linker which is an optionally substituted saturated or unsaturated straight chain, branched and/or cyclic hydrocarbon radical having a backbone of at least 11 atoms, or a pharmaceutically acceptable derivative or salt thereof, methods for their preparation, pharmaceutical formulations containing them or their use in the prevention or treatment of a microbial infection.

  本发明涉及一种通式（I）的化合物：X-L-Y  (I)，其中X和Y是药物活性基团，可以相同或不同；L是一个连接基，是一个可选的取代饱和或不饱和直链、分支和/或环烃基，具有至少11个原子的骨架，或其药学上可接受的衍生物或盐，其制备方法，包含它们的制药配方或用于预防或治疗微生物感染的用途。
• Novel chemical compounds and their use
  申请人：Cianci Julia

  公开号：US20060128608A1

  公开（公告）日：2006-06-15

  The present invention relates to prodrugs of pharmaceutical moieties, more specifically antimicrobial agents, methods for their preparation, pharmaceutical formulations containing them and their use in the treatment of microbial infections.

  本发明涉及制药物质的前药，更具体地说是抗微生物药物，其制备方法，含有它们的制药配方以及它们在治疗微生物感染中的应用。