6,11-二氢-N,N-二甲基二苯并[b,e]硫杂卓-11-(1-丙胺) | 1886-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 中文名称: 6,11-二氢-N,N-二甲基二苯并[b,e]硫杂卓-11-(1-丙胺)
• 英文名称: 11-(3-Dimethylamino-propyl)-6,11-dihydro-dibenzothiepin
• 英文别名: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine
• CAS: 1886-45-9
• 化学式: C₁₉H₂₃NS
• 分子量: 297.464
• InChiKey: UTAPTDWKRLVUMP-UHFFFAOYSA-N

物化性质

• 熔点：
  47°C
• 沸点：
  170-175 °C(Press: 1 Torr)
• 密度：
  1.0841 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,11-二氢-N,N-二甲基二苯并[b,e]硫杂卓-11-(1-丙胺) 生成 3-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-N,N-dimethylpropan-1-amine
  参考文献：
  名称：

  SNOPEK, JIRI;JELENEK, IVAN;SMOLKOVA-KEULEMANSOVA, EVA, J. CHROMATOGR., 472,(1989) N, C. 308-313

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-N,N-dimethyl-3-(2-bromo-6,11-dihydrodibenzothiepin-11-ylidene)propylamine 、 盐酸 生成 6,11-二氢-N,N-二甲基二苯并[b,e]硫杂卓-11-(1-丙胺)
  参考文献：
  名称：

  SINDELAR, KAREL;HOLUBEK, JIRI;MATOUSOVA, OLUSE;SVATEK, EMIL;VALCHAR, MART+, COLLECT. CZECHOLS CHEM. COMMUN., 53,(1988) N 2, 340-360

  摘要：

  DOI：

文献信息

• SNOPEK, JIRI;JELENEK, IVAN;SMOLKOVA-KEULEMANSOVA, EVA, J. CHROMATOGR., 472,(1989) N, C. 308-313
  作者：SNOPEK, JIRI、JELENEK, IVAN、SMOLKOVA-KEULEMANSOVA, EVA

  DOI：——

  日期：——
• SINDELAR, KAREL;HOLUBEK, JIRI;MATOUSOVA, OLUSE;SVATEK, EMIL;VALCHAR, MART+, COLLECT. CZECHOLS CHEM. COMMUN., 53,(1988) N 2, 340-360
  作者：SINDELAR, KAREL、HOLUBEK, JIRI、MATOUSOVA, OLUSE、SVATEK, EMIL、VALCHAR, MART+

  DOI：——

  日期：——
• TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS
  申请人：Arbiser Jack L.

  公开号：US20100189762A1

  公开（公告）日：2010-07-29

  Compounds, pharmaceutical compositions including the compounds, and methods of preparation and use thereof are disclosed. The compounds are triphenyl methane analogs. The compounds and compositions can be used to treat and/or prevent a wide variety of cancers, including drug resistant cancers, inflammatory, degenerative and vascular diseases, including various ocular diseases, and parasitic infections. Representative triphenyl methane analogs include triphenyl methane analogues of various dyes, hormones, sugars, peptides, oligonucleotides, amino acids, nucleotides, nucleosides, and polyols. The compounds are believed to function by inhibiting tNOX expression, the effects of ROS, and/or the production of HIF2. Thus, the compounds are novel therapeutic agents for a variety of cancers and other diseases.
• PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN ASSOCIATED WITH DYSMENORRHEA
  申请人：Trinity Laboratories, Inc.

  公开号：US20150313892A1

  公开（公告）日：2015-11-05

  Pain associated with primary and secondary dysmenorrhea is relieved in a human suffering there from by administering to the human a pain relieving amount of a synergistically acting sub-therapeutic combination of a nontoxic N-methyl-D-aspartate receptor antagonist such as dextromethorphan, magnesium, dextrorphan, ketamine or pharmaceutically acceptable salt thereof, tramadol or its analog such as recemic tramadol or an analogously acting molecular entity or pharmaceutically acceptable salt thereof, and an anticonvulsant and/or a tricyclic anti-depressant or pharmaceutically acceptable salt thereof, and optionally in sustained release dosage form.