2-methyl-11H-dibenzo[b,f]thiepin-10-one | 38910-04-2

• 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: 2-methyl-11H-dibenzo[b,f]thiepin-10-one
• 英文别名: 10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-one；3-methyl-5H-benzo[b][1]benzothiepin-6-one
• CAS: 38910-04-2
• 化学式: C₁₅H₁₂OS
• 分子量: 240.326
• InChiKey: LUPGRNZLGSKDLJ-UHFFFAOYSA-N

物化性质

• 熔点：
  85-86.5 °C
• 沸点：
  397.9±42.0 °C(predicted)
• 密度：
  1.225±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-11H-dibenzo[b,f]thiepin-10-one 在 sodium borohydrid 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-ol
  参考文献：
  名称：

  10,11-Dihydro-dibenzo(b,f)thiepin derivatives

  摘要：

  通式为##STR1##的二苯并噻吩衍生物，其中m、n、R.sub.1、R.sub.2、R.sub.3和X如下所述，以及其盐，以及其制备方法被揭示。最终产品可用作中枢抑制剂和神经阻滞剂。

  公开号：

  US04006144A1
• 作为产物：
  描述：

  3-methyl-6-(phenylthio)-benzoic acid 在 盐酸 、 氢氧化钾 、 氯化亚砜 、 PPA 作用下， 以 四氢呋喃 、 甲醇 、 ice-water 、 乙醇 、 水 、 苯 为溶剂， 生成 2-methyl-11H-dibenzo[b,f]thiepin-10-one
  参考文献：
  名称：

  10,11-Dihydro-dibenzo(b,f)thiepin derivatives

  摘要：

  通式为##STR1##的二苯并噻吩衍生物，其中m、n、R.sub.1、R.sub.2、R.sub.3和X如下所述，以及其盐，以及其制备方法被揭示。最终产品可用作中枢抑制剂和神经阻滞剂。

  公开号：

  US04006144A1

文献信息

• 10,11-Dihydro dibenzo(b,f)thiepin derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04006145A1

  公开（公告）日：1977-02-01

  Dibenzothiepin derivatives of the general formula ##STR1## wherein m, n, R.sub.1, R.sub.2, R.sub.3 and X are as hereinafter set forth, and salts thereof as well as processes for their manufacture are disclosed. The end products are useful as central-depressant and neuroleptic agents.

  本发明揭示了通式##STR1##中m，n，R.sub.1，R.sub.2，R.sub.3和X的二苯并噻吩衍生物，以及其盐和制备过程。该终产品可用作中枢抑制剂和神经乐静剂。
• NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：EARL Richard A.

  公开号：US20100093671A1

  公开（公告）日：2010-04-15

  The invention describes novel nitrosated nonsteroidal antiinflammatory drugs (NSAIDs) and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one nitrosated NSAID, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated NSAID, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders.

  该发明描述了新型亚硝酰化非甾体抗炎药（NSAIDs）及其药学上可接受的盐，并且描述了至少包含一种亚硝酰化NSAID和可选的至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性松弛因子的水平或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID和至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，提高内源性内皮源性松弛因子的水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID，可选的至少一种一氧化氮供体和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防使用非甾体抗炎化合物导致的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的方法。
• Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use
  申请人：Earl Richard

  公开号：US20110098253A1

  公开（公告）日：2011-04-28

  The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders comprising administration of novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent.

  该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防非甾体类抗炎化合物使用引起的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的新组合物的给药方法，该组合物包括至少一种硝化的非甾体类抗炎药，以及可选地至少一种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物和/或至少一种治疗剂。
• MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC
  申请人：ANDERSSON Johan

  公开号：US20090170934A1

  公开（公告）日：2009-07-02

  The present invention relates to a new process for the preparation of NO-donating compounds using a sulfonated intermediate. The invention relates to new intermediates prepared therein suitable for large scale manufacturing of NO-donating compounds. The invention further relates to the use of the new intermediates for the manufacturing of pharmaceutically active NO-donating compounds. The invention further relates to a substantially crystalline form of NO-donating NSAIDs, especially 2-[2-(nitrooxy)ethoxy]ethyl 2-[(2,6-dichlorophenyl)amino]phenyl}acetate, the preparation thereof and to pharmaceutical formulations containing said crystalline form and to the use of said crystalline form in the preparation of a medicament.

  本发明涉及一种使用磺化中间体制备NO供体化合物的新工艺。该发明涉及其中制备的适用于NO供体化合物大规模生产的新中间体。本发明还涉及使用新中间体制造药用活性NO供体化合物。此外，本发明还涉及NO供体NSAIDs的实质晶体形式，特别是2-[2-(硝氧基)乙氧基]乙基2-[(2,6-二氯苯基)氨基]苯基}乙酸酯的制备，以及含有该晶体形式的制药配方和在制备药物时使用该晶体形式的用途。
• VALENTA V.; JILEK J.; POMYKACEK J.; DLABAC A.; VALCHAR M.; METYS J.; PROT+, COLLECT. CZECH. CHEM. COMMUN., 1979, 44, NO 9, 2677-2688
  作者：VALENTA V.、 JILEK J.、 POMYKACEK J.、 DLABAC A.、 VALCHAR M.、 METYS J.、 PROT+

  DOI：——

  日期：——