2-Phenyl-benzothiazolo<3,2-a><1,3,5>triazin-1,3-dion | 18510-66-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-Phenyl-benzothiazolo<3,2-a><1,3,5>triazin-1,3-dion
• 英文别名: 3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
• CAS: 18510-66-2
• 化学式: C₁₅H₉N₃O₂S
• 分子量: 295.321
• InChiKey: FCPXRIBIDATENX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Phenyl-benzothiazolo<3,2-a><1,3,5>triazin-1,3-dion 300.0 ℃ 、26.66 Pa 条件下， 反应 1.0h， 生成 3-(2-benzothiazolyl)-2H-1,3,5-triazino<2,1-b>benzothiazole-2,4(3H)-dione
  参考文献：
  名称：

  Gizycki,U. v.; Oertel,G., Angewandte Chemie, 1968, vol. 80, p. 363 - 364

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基苯并噻唑 反应 18.0h， 生成 2-Phenyl-benzothiazolo<3,2-a><1,3,5>triazin-1,3-dion
  参考文献：
  名称：

  Richter,R.; Ulrich,H., Chemische Berichte, 1970, vol. 103, p. 3525 - 3532

  摘要：

  DOI：

文献信息

• Addition Reaction of Phenyl Isocyanate and Phenyl Isothiocyanate to Partially Cyclic 1,3-Diaza-1,3-butadienes. Synthesis of Annulated 1,3,5-Triazine-2,4(1<i>H</i>,3<i>H</i>)-diones and -2,4(1<i>H</i>,3<i>H</i>)-dithiones
  作者：Mahmoud A. Abdel-Rahman

  DOI：10.1246/bcsj.66.510

  日期：1993.2

  3H)-dithiones (8 and 9) are synthesized by a 4π+2π cyclodimerization of heterocyclic heterocumulenes (6 and 7). These heterocumulenes are generated from partially cyclic 1,3-diaza-1,3-butadienes (1a—c) by means of a 2π+2π cycloaddition reaction with phenyl isocyanate or phenyl isothiocyanate and followed by dissociation of the resulting cycloadducts (1,3-diazetidinones (3) and 1,3-diazetidithiones (4)).

  环化 1,3,5-三嗪-2,4(1H,3H)-二酮和 -2,4(1H,3H)-二硫酮（8 和 9）通过杂环杂枯烯（6 和7）。这些杂枯烯是由部分环状 1,3-二氮杂-1,3-丁二烯 (1a-c) 通过与异氰酸苯酯或异硫氰酸苯酯的 2π+2π 环加成反应生成的，然后解离所得环加合物 (1,3 -二氮杂环庚酮 (3) 和 1,3-二氮杂二硫酮 (4))。
• Gizycki,U. v.; Oertel,G., Angewandte Chemie, 1968, vol. 80, p. 362 - 363
  作者：Gizycki,U. v.、Oertel,G.

  DOI：——

  日期：——
• INHIBITORS OF PHOSPODIESTERASES 11 (PDE11) AND METHODS OF USE TO ELEVATE CORTISOL PRODUCTION
  申请人：TRUSTEES OF BOSTON COLLEGE

  公开号：US20140323503A1

  公开（公告）日：2014-10-30

  The present intervention generally relates to compositions comprising a PDE11 inhibitor for increasing cortisol levels in a subject, or for increasing the production of cortisol from adenocortical cells in a subject. Aspects of the invention relate to the use of a PDE11 inhibitor in a method of treatment of low cortisol levels and/or adrenal insufficiency in a subject, or a method of treating a disease or disorders associated with adrenal insufficiency. Aspects of the invention relate to PDE11 inhibitors belonging to compounds of formula (I)-(VI), and their use alone or in combination with long-term corticosteroid treatment to elevate cortisol levels in a subject, and/or to treat adrenal insufficiency. Another aspect relates to kits comprising PDE11 inhibitors for administration to a subject, pharmaceutical compositions comprising compounds of formula (I)-(VI) for use in methods to increase cortisol levels and/or treat adrenal insufficiency, and their use as an adjuvant for treatment of cancer or other disorders such as psychiatric diseases where elevating cortisol levels would be beneficial to the subject.
• US9173884B2
  申请人：——

  公开号：US9173884B2

  公开（公告）日：2015-11-03
• [EN] INHIBITORS OF PHOSPHODIESTERASES 11 (PDE11) AND METHODS OF USE TO ELEVATE CORTISOL PRODUCTION<br/>[FR] INHIBITEURS DE PHOSPHODIESTÉRASES 11 (PDE11) ET PROCÉDÉS D'UTILISATION POUR AUGMENTER LA PRODUCTION DE CORTISOL
  申请人：TRUSTEES BOSTON COLLEGE

  公开号：WO2013082275A1

  公开（公告）日：2013-06-06

  The present intervention generally relates to compositions comprising a PDE11 inhibitor for increasing cortisol levels in a subject, or for increasing the production of cortisol from adenocortical cells in a subject. Aspects of the invention relate to the use of a PDE11 inhibitor in a method of treatment of low cortisol levels and/or adrenal insufficiency in a subject, or a method of treating a disease or disorders associated with adrenal insufficiency. Aspects of the invention relate to PDE11 inhibitors belonging to compounds of formula (I)-(VI), and their use alone or in combination with long-term corticosteroid treatment to elevate cortisol levels in a subject, and/or to treat adrenal insufficiency. Another aspect relates to kits comprising PDE11 inhibitors for administration to a subject, pharmaceutical compositions comprising compounds of formula (I)-(VI) for use in methods to increase cortisol levels and/or treat adrenal insufficiency, and their use as an adjuvant for treatment of cancer or other disorders such as psychiatric diseases where elevating cortisol levels would be beneficial to the subject.