3,4-dihydro-2H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxide | 873536-72-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,4-dihydro-2H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxide
• 英文别名: 2H-naphtho[2,3-b]-1,4-thiazine-5,10-dione, 3,4-dihydro-1,1-dioxide；1,1-dioxo-3,4-dihydro-2H-benzo[g][1,4]benzothiazine-5,10-dione
• CAS: 873536-72-2
• 化学式: C₁₂H₉NO₄S
• 分子量: 263.274
• InChiKey: SSICNPWKJXVPBL-UHFFFAOYSA-N

物化性质

• 沸点：
  514.6±50.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-2H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxide 在 potassium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 96.0h， 以63%的产率得到4H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxide
  参考文献：
  名称：

  二氯萘醌作为分枝杆菌碳酸酐酶Rv3588c的非经典抑制剂

  摘要：

  可溶性分枝杆菌碳酸酐酶Rv3588c和Rv1284与人类发现的碳酸酐酶属于不同类别，通过利用不同类别折叠的内在差异使它们成为有吸引力的药物靶标。通过筛选天然产物库，我们将萘醌衍生物鉴定为分枝杆菌碳酸酐酶的新型非经典抑制剂支架，该支架缺少磺酰胺/氨基磺酸酯基团，因此不影响人类碳酸酐酶II。

  DOI：

  10.1039/c7md00090a
• 作为产物：
  描述：

  亚牛磺酸 、 1,4-萘醌 以 乙醇 、 水 、 乙腈 为溶剂， 反应 0.17h， 以24%的产率得到3,4-dihydro-2H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxide
  参考文献：
  名称：

  [EN] ANTI-INFLAMMATORY COMPOUNDS
  [FR] COMPOSES ANTI-INFLAMMATOIRES

  摘要：

  本发明涉及式(I)或式(II)的化合物，具有抗炎活性，并包含一类新的非甾体抗炎药。因此，这些化合物可用于治疗炎症性疾病或疾患。本发明还涉及含有这些化合物的制药组合物，以及使用式(III)或式(IV)的化合物治疗炎症性疾病或疾患的方法。

  公开号：

  WO2006031134A1

文献信息

• Anti-Inflammatory Compounds
  申请人：Denny Alexander William

  公开号：US20070265253A1

  公开（公告）日：2007-11-15

  The invention relates to compounds of formula (I) or formula (II) which have anti-inflammatory activity and comprise a new class of NSAIDs. The compounds are therefore useful for treating inflammatory diseases or disorders. The invention also relates to pharmaceutical compositions containing these compounds, as well as methods of treating inflammatory diseases or disorders using compounds of formula (III) or formula (IV).

  本发明涉及具有抗炎活性的式（I）或式（II）化合物，包括一种新的非甾体抗炎药类。因此，这些化合物可用于治疗炎症性疾病或疾病。本发明还涉及含有这些化合物的制药组合物，以及使用式（III）或式（IV）化合物治疗炎症性疾病或疾病的方法。
• Annulins A, B, C or analogs as indoleamine 2,3-dioxygenase (IDO) inhibitors for treatment of cancer
  申请人：THE UNIVERSITY OF BRITISH COLUMBIA

  公开号：EP2130826A1

  公开（公告）日：2009-12-09

  Inhibitors of indoleamine 2,3-dioxygenase (IDO) are provided as are pharmaceutical compositions containing such inhibitors as well as the use of such inhibitors and compositions for the treatment of a condition in a mammalian subject characterized by pathology of the IDO-mediated tryptophan metabolic pathway. Such conditions may involve suppression of T-cell mediated immune response or may directly result from depletion of tryptophan or accumulation of a product of tryptophan degradation. Specific disease conditions include cancer. IDO inhibitors of this invention are homologs of annulin A, annulin B or annulin C.

  本研究提供了吲哚胺 2,3-二氧化酶（IDO）的抑制剂以及含有此类抑制剂的药物组合物，还提供了使用此类抑制剂和组合物治疗哺乳动物体内以 IDO 介导的色氨酸代谢途径病理学为特征的疾病的方法。此类病症可能涉及抑制 T 细胞介导的免疫反应，也可能直接导致色氨酸耗竭或色氨酸降解产物的积累。具体的疾病情况包括癌症。本发明的 IDO 抑制剂是鹅膏素 A、鹅膏素 B 或鹅膏素 C 的同源物。
• Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases
  作者：Shugeng Cao、Brian T. Murphy、Caleb Foster、John S. Lazo、David G.I. Kingston

  DOI：10.1016/j.bmc.2008.10.090

  日期：2009.3

  Some simplified adociaquinone B analogs and a series of 1,4-naphthoquinone derivatives were synthesized and tested against the three enzymes Cdc25B, MKP-1, and MKP-3. Cdc25B and MKP-1 in particular are enzymes overexpressed in human cancer cells, and they represent potential molecular targets for novel cancer chemotherapeutic treatments. A number of analogs exhibited significant inhibitory activity against these enzymes, and the bioassay data in addition to structure-activity relationships of these compounds will be discussed. (C) 2008 Elsevier Ltd. All rights reserved.
• Xesto- and halenaquinone derivatives from a sponge, Adocia sp., from Truk lagoon
  作者：Francis J. Schmitz、Stephen J. Bloor

  DOI：10.1021/jo00252a007

  日期：1988.8
• Indoleamine 2,3-Dioxygenase (IDO) Inhibitors
  申请人：ANDERSEN Raymond J.

  公开号：US20090042868A1

  公开（公告）日：2009-02-12

  Inhibitors of indoleamine 2,3-dioxygenase (IDO) are provided as are pharmaceutical compositions containing such inhibitors as well as the use of such inhibitors and compositions for the treatment of a condition in a mammalian subject characterized by pathology of the IDO-mediated tryptophan metabolic pathway. Such conditions may involve suppression of T-cell mediated immune response or may directly result from depletion of tryptophan or accumulation of a product of tryptophan degradation. Specific disease conditions include cataracts, age-related yellowing in the eye, neurodegenerative disorders, mood disorders, cancer and various bacterial/viral infections. IDO inhibitors of this invention are substituted naphthalene and anthracene diones. Novel compounds of this invention include the following taurine-substituted naphthaquinone structure.