(10-oxo-10,11-dihydro-dibenzo[b,f]thiepin-2-yl)-acetic acid | 67667-25-8

• 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: (10-oxo-10,11-dihydro-dibenzo[b,f]thiepin-2-yl)-acetic acid
• 英文别名: 10,11-dihydrodibenzo[b.f]thiepin-10-one-2-acetic acid；2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetic acid
• CAS: 67667-25-8
• 化学式: C₁₆H₁₂O₃S
• 分子量: 284.335
• InChiKey: TYWUZNCZRHUXRA-UHFFFAOYSA-N

物化性质

• 沸点：
  505.6±50.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (10-oxo-10,11-dihydro-dibenzo[b,f]thiepin-2-yl)-acetic acid 在 盐酸 作用下， 以 水 、 甲苯 为溶剂， 生成 (10,11-dihydro-dibenzo[b,f]thiepin-2-yl)-acetic acid
  参考文献：
  名称：

  Dibenzo [b.f]thiepin and dibenzo[b.f]oxepin derivatives

  摘要：

  新型二苯并[b.f]噻吩和氧杂环庚烯化合物的化学式及其药用可接受的酯和盐，其中R是氢或甲基；X是氧或S(O).sub.n，其中n是整数0、1或2，Z是单键或双键，但当Z是双键时，X不是SO，当R是甲基时，化合物为(dl)混合物，并提供其生产方法。

  公开号：

  US04104280A1
• 作为产物：
  描述：

  2,4-bis-(carboxymethyl)diphenylsulfide 以53%的产率得到
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Novel dibenz (b,f) oxepin and dibenzo (b,f) thiepin compounds and pharmaceutically acceptable salts thereof, processes for their preparation and pharmaceutical compositions containing them
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：EP0003893A1

  公开（公告）日：1979-09-05

  The invention provides dibenz [b,f] oxepin and dibenzo [b,f] thiepin derivatives of the formula wherein X is an oxygen or sulfur atom, each of R1 and R2 is a hydrogen atom or a methyl group, and R3 is a hydrogen atom or a 2-(2-hydroxyethoxy) ethyl group; provided that when Ri is a hydrogen atom, the group -CHCOOR3 is a group other than a 1-carboxyethyl group, and when X is a sulfur atom, both R1 and R2 are methyl groups; and pharmaceutically acceptable salts of said compounds in which R3 is a hydrogen atom. Compositions of said compounds or salts and processes for their preparation are also provided. These compounds and salts thereof have excellent anti-inflammatory, analgesic and antipyretic activities.

  本发明提供了式中的二苯并[b,f]氧杂卓和二苯并[b,f]硫杂卓衍生物 其中 X 为氧原子或硫原子，R1 和 R2 各为氢原子或甲基，R3 为氢原子或 2-(2-羟乙氧基) 乙基；但当 Ri 为氢原子时，基团 -CHCOOR3 为 1-羧基以外的基团。 当 X 为硫原子时，R1 和 R2 均为甲基； 以及 R3 为氢原子的上述化合物的药学上可接受的盐。还提供了所述化合物或盐的组成及其制备工艺。这些化合物及其盐类具有出色的抗炎、镇痛和解热活性。
• ——
  作者：

  DOI：——

  日期：——
• HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS
  申请人：Yu Chongxi

  公开号：US20110269689A1

  公开（公告）日：2011-11-03

  High penetration compositions (HPC) of a parent compound, which are capable of crossing biological barriers with high penetration efficiency. The HPCs are capable of being converted to parent drugs or parent drug-related compounds such as metabolites after crossing one or more biological barriers and thus can render treatments for the conditions that the parent drugs or parent drug-related compounds can. Additionally, the HPCs are capable of reaching areas that their parent drugs or parent drug-related compounds may not be able to access or to render a sufficient concentration at the target areas HPCs of NSAIA, for example, have demonstrated indications such as treating hair loss. A HPC can be administered to a subject through various administration routes, e.g., locally delivered to an action site of a condition with a high concentration or systematically administered to a biological subject and enter the general circulation with a faster rate.
• US4104280A
  申请人：——

  公开号：US4104280A

  公开（公告）日：1978-08-01
• US4238620A
  申请人：——

  公开号：US4238620A

  公开（公告）日：1980-12-09