6,11-dihydrodibenzothiepin-11-carbonitrile | 1745-54-6

• 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: 6,11-dihydrodibenzothiepin-11-carbonitrile
• 英文别名: 6,11-dihydrodibenzo[b,e]thiepin-11-carbonitrile；6,11-Dihydrobenzo[c][1]benzothiepine-11-carbonitrile
• CAS: 1745-54-6
• 化学式: C₁₅H₁₁NS
• 分子量: 237.325
• InChiKey: YQCZBDVYQPTZFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 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：
  49.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,11-dihydrodibenzothiepin-11-carbonitrile 在 对甲基苯磺酰甲基异腈 、 氢化钾 、 sodium amide 作用下， 以 二甲基亚砜 、 叔丁醇 为溶剂， 反应 12.5h， 生成 蒽醌
  参考文献：
  名称：

  Sindelar, Karel; Holubek, Jiri; Ryska, Miroslav, Collection of Czechoslovak Chemical Communications, 1983, vol. 48, # 7, p. 1898 - 1909

  摘要：

  DOI：
• 作为产物：
  描述：

  (NE)-N-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethylidene)hydroxylamine 生成 6,11-dihydrodibenzothiepin-11-carbonitrile
  参考文献：
  名称：

  RAJSNER, M.;PROTIVA, M.

  摘要：

  DOI：

文献信息

• Chemokine receptor antagonists and methods of use therefor
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US06433165B1

  公开（公告）日：2002-08-13

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by the following structural formula: and physiologically acceptable salts thereof.

  本发明涉及新型化合物及治疗与异常白细胞招募和/或激活有关的疾病的方法。该方法包括向需要治疗的受试者施用以下结构式所表示的化合物的有效量及其生理上可接受的盐：（见图片）。
• New triazine derivatives as potent modulators of multidrug resistance
  作者：Alain Dhainaut、Gilbert Regnier、Ghanem Atassi、Alain Pierre、Stephane Leonce、Laurence Kraus-Berthier、Jean Francois Prost

  DOI：10.1021/jm00091a017

  日期：1992.6

  A series of 70 triazine derivatives have been synthesized and tested for their capacity to modulate multidrug resistance (MDR) in DC-3F/AD and KB-A1 tumor cells in vitro, in comparison with verapamil (VRP), a calcium channel antagonist currently used in therapy as an antihypertensive drug, which also shows MDR modulating activity. Among the 12 selected compounds, 16 (S9788) showed high MDR reversing properties in vitro (300- and 6-fold VRP at 5-mu-M in DC-3F/AD and KB-A1 cells, respectively) and induced a strong accumulation of adriamycin. The relationship between the increase of ADR accumulation and the fold reversal induced by these compounds and their lack of effects on the sensitive DC-3F cells suggest that they act mainly by inhibiting the P-glycoprotein (Pgp) catalyzed efflux of cytotoxic agents, as already described for a majority of MDR modulators. In vivo, in association with the antitumor drug vincristine (0.25 mg/kg), 16 (100 mg/kg) increased the TIC by 39% in mice bearing the resistant tumor cell line P388/VCR. According to these interesting properties, 16 was selected for a clinical development because it was more bioavailable than 34, even though it was less active.
• Sindelar, Karel; Budesinsky, Milos; Vanek, Tomas, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 9, p. 2281 - 2294
  作者：Sindelar, Karel、Budesinsky, Milos、Vanek, Tomas、Holubek, Jiri、Svatek, Emil、at.al.

  DOI：——

  日期：——
• Sindelar, Karel; Metysova, Jirina; Protiva, Miroslav, Collection of Czechoslovak Chemical Communications, 1989, vol. 54, # 1, p. 229 - 234
  作者：Sindelar, Karel、Metysova, Jirina、Protiva, Miroslav

  DOI：——

  日期：——
• Valenta, Vladimir; Hulinska, Hana; Holubek, Jiri, Collection of Czechoslovak Chemical Communications, 1988, vol. 53, # 4, p. 860 - 869
  作者：Valenta, Vladimir、Hulinska, Hana、Holubek, Jiri、Dlabac, Antonin、Metys, Jan、et al.

  DOI：——

  日期：——