2,10-dichloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepin | 54435-71-1

• 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: 2,10-dichloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepin
• 英文别名: 2,10-dichloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepine；3,6-dichloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepine
• CAS: 54435-71-1
• 化学式: C₁₄H₉Cl₂FS
• 分子量: 299.196
• InChiKey: OZUCABFWILAZSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,10-dichloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepin 生成 3-[4-(2-chloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazin-1-yl]-propan-1-ol
  参考文献：
  名称：

  JILEK J. O.; SINDELAR K.; RAJSNER M.; DLABAC A.; METYSOVA J.; VOTAVA Z.; +, COLLECT. CZECH. CHEM. COMMUNS , 1975, 40, NO 9, 2887-2904

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Chloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepin-10-ol 、 盐酸 以100%的产率得到
  参考文献：
  名称：

  JILEK J. O.; SINDELAR K.; RAJSNER M.; DLABAC A.; METYSOVA J.; VOTAVA Z.; +, COLLECT. CZECH. CHEM. COMMUNS , 1975, 40, NO 9, 2887-2904

  摘要：

  DOI：

文献信息

• N-substituted azaheterocyclic compounds
  申请人：Novo Nordisk A/S

  公开号：US06060468A1

  公开（公告）日：2000-05-09

  The present invention relates to novel N-substituted azaheterocyclic compounds of the general formula ##STR1## wherein X, Y, Z, R.sup.1, R.sup.1a, R.sup.2, R.sup.2a, p, r and s are as defined in the detailed part of the present description or salts thereof, to methods for their preparation, to compositions containing them, and to their use for the clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammation as well as their use for treatment of indications caused by or related to secretion and circulation of insulin antagonising peptides.

  本发明涉及一种新型N-取代的杂环化合物，其一般式为##STR1##其中X、Y、Z、R1、R1a、R2、R2a、p、r和s如本说明书详细部分所定义，或其盐，以及它们的制备方法、含有它们的组合物，以及它们用于临床治疗疼痛、高敏感性和/或炎症病症的用途，其中C-纤维通过引发神经源性疼痛或炎症在病理生理过程中发挥作用，以及它们用于治疗由胰岛素拮抗肽的分泌和循环引起或相关的症状的用途。
• Fluoro-substituted dibenso[b,f] thiepins
  申请人：Hoffmann-La Roche Inc.

  公开号：US03966737A1

  公开（公告）日：1976-06-29

  Compounds of the formulas ##SPC1## Wherein R, R.sub.1, R.sub.2, R.sub.3, R.sub.4 and n are as hereinafter set forth, Are described. The compounds of formulas I and Ia are prepared inter alia by the reaction of the corresponding dibenzo[b,f] thiepin and the corresponding piperazine compound. The end products are useful as neuroleptic agents.

  式为##SPC1##的化合物，其中R、R.sub.1、R.sub.2、R.sub.3、R.sub.4和n如下所示，被描述。通过相应的二苯并[b,f]噻吩和相应的哌嗪化合物的反应制备了式I和Ia的化合物。最终产品可用作抗精神病药物。
• N-substituted 2-chloro-7-fluoro-10-piperazino-10,11-dihydrodibenzo (B,F)
  申请人：SPOFA, Spojene Podniky Pro Zdravotnickou Vyrobu

  公开号：US04678788A1

  公开（公告）日：1987-07-07

  N-substituted 2-chloro-7-fluoro-10-piperazino-10,11-dihydrodibenzo(b,f)thiepins are disclosed of the general formula I, ##STR1## in which R represents an aminocarbonyl, amino-oximinomethyl, 1,3-dioxolan-2-yl or 1,3-dioxan-2-yl, group and their addition salts with convenient organic and inorganic acids. These compounds are highly potent antidopaminergic, non-cataleptic neuroleptics of use in the treatment of schizophrenia. According to recent pharmacological assay results, the subject compounds are expected to be substantially free of the usual undesired extrapyramidal side effects. They can be obtained by common preparative methods from the respective starting compounds of formula III, IV or V, or also by appropriate interconversion reactions of other compounds of formula I. If required, the resulting bases are neutralized with suitable acids, preferably methanesulfonic, maleic or hydrochloric acid, to yield the corresponding addition salts that can be used in formulating proper dosage forms for pharmacological evaluation and therapeutical application.

  本发明公开了一般式I的N-取代2-氯-7-氟-10-哌嗪基-10,11-二氢二苯并(b,f)噻吩化合物，其公式为：##STR1## 其中R代表氨基甲酰基，氨基氧肟甲基，1,3-二氧兰-2-基或1,3-二氧杂环-2-基，以及它们与方便的有机和无机酸的加合盐。这些化合物是高效的抗多巴胺能、非锥体外系副作用的神经类药物，用于治疗精神分裂症。根据最近的药理学测定结果，这些化合物预计基本上不会产生通常不希望出现的锥体外系副作用。它们可以通过常见的制备方法从相应的公式III、IV或V的起始化合物中获得，或通过其他公式I化合物的适当相互转化反应获得。如果需要，所得的碱可以用适当的酸中和，优选用甲磺酸、马来酸或盐酸，以得到相应的加合盐，可用于制备适当的剂量形式进行药理评价和治疗应用。
• Sindelar, Karel; Jilek, Jiri; Pomykacek, Josef, Collection of Czechoslovak Chemical Communications, 1990, vol. 55, # 9, p. 2282 - 2303
  作者：Sindelar, Karel、Jilek, Jiri、Pomykacek, Josef、Valenta, Vladimir、Hrubantova, Marta、et al.

  DOI：——

  日期：——
• SINDELAR, KAREL;JILEK, JIRI;POMYKACEK, JOSEF;VALENTA, VLADIMIR;HRUBANTOVA+, COLLECT. CZECHOSL. CHEM. COMMUN., 55,(1990) N, C. 2282-2303
  作者：SINDELAR, KAREL、JILEK, JIRI、POMYKACEK, JOSEF、VALENTA, VLADIMIR、HRUBANTOVA+

  DOI：——

  日期：——