环戊基N-[3-[[2-甲氧基-4-(苯磺酰基氨基甲酰)苯基]甲基]-1-苯并噻吩-5-基]氨基甲酸酯 | 107786-74-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 环戊基N-[3-[[2-甲氧基-4-(苯磺酰基氨基甲酰)苯基]甲基]-1-苯并噻吩-5-基]氨基甲酸酯
• 中文别名: N-(4-((5-(((环戊氧基)羰基)氨基)苯并(b)噻吩并-3-基)甲基)-3-甲氧基苯甲酰)苯磺酰胺
• 英文名称: N-[4-[5-(cyclopentyloxycarbonyl)aminobenzo[b]thien-3-ylmethyl]-3-methoxybenzoyl]benzenesulphonamide
• 英文别名: N-(4-((5-(((Cyclopentyloxy)carbonyl)amino)benzo(b)thien-3-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide；cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-benzothiophen-5-yl]carbamate
• CAS: 107786-74-3
• 化学式: C₂₉H₂₈N₂O₆S₂
• 分子量: 564.683
• InChiKey: MGMIPHDTLAASLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-氯-5-硝基苯甲醛 在 2,6-二甲基吡啶 、 喹啉 、 4-二甲氨基吡啶 、 lithium hydroxide 、 四氯化锡 、 铜 、 sodium hydride 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 108.17h， 生成 环戊基N-[3-[[2-甲氧基-4-(苯磺酰基氨基甲酰)苯基]甲基]-1-苯并噻吩-5-基]氨基甲酸酯
  参考文献：
  名称：

  Synthesis and in vitro LTD4 antagonist activity of bicyclic and monocyclic cyclopentylurethane and cyclopentylacetamide N-arylsulfonyl amides

  摘要：

  The dissociation constants (KB) at the LTD4 receptor on guinea pig trachea of a series of monocyclic and bicyclic cyclopentylurethane and cyclopentylacetamide N-arylsulfonyl amides have been measured. The KB was found to be remarkably tolerant of changes in the electronic constitution and lipophilicity of the bicyclic ring system (template). Thus, N-[4[[6-[[(cyclopentyloxy)carbonyl]amino]benzimidazol-1- yl]methyl]-3-methoxybenzoyl]benzenesulfonamide (11a) and N-[4-[[5-[[(cyclopentyloxy)carbonyl]amino]benzo[b]thien-3- yl]methyl]-3-methoxybenzoyl]benzene-sulfonamide (25a) had closely similar affinities (pKB, 9.20 and 9.31, respectively; LTE4 as agonist). It has been shown that the hetero-ring of the template need not be aromatic in order to achieve high affinity, since indoline 31 and 2,3-dihydrobenz-1,4-oxazines 37a-c had pKBs greater than 9. Further, it has been shown that an o-aminophenone (see 42 and Figure 3) can function as a template; the template in 42 [see iii] is bicyclic by virtue of the presence of an intramolecular hydrogen bond. In contrast, when the template is a phenyl ring (48), receptor affinity is markedly reduced. These findings support the notion that central bicyclic ring system in this family of peptidoleukotriene antagonists is a molecular feature which helps to preorganize the acylamino and acidic chains and thereby facilitate the molecular recognition event.

  DOI：

  10.1021/jm00171a043

文献信息

• Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease
  申请人：Robinson B. Cynthia

  公开号：US20050026882A1

  公开（公告）日：2005-02-03

  A pharmaceutical or veterinary composition, comprises a first active agent selected from a dehydroepiandrosterone and/or dehydroepiandrosterone-sulfate, or a salt thereof, and a second active agent comprising a leukotriene receptor antagonist for the treatment of asthma, chronic obstructive pulmonary disease, or any other respiratory disease. The composition is provided in various formulations and in the form of a kit. The products of this patent are applied to the prophylaxis and treatment of asthma, chronic obstructive pulmonary disease, or any other respiratory disease.

  一种药物或兽药组合物，包含选自脱氢表雄酮和/或脱氢表雄酮-硫酸盐或其盐的第一种活性剂和包含白三烯受体拮抗剂的第二种活性剂，用于治疗哮喘、慢性阻塞性肺病或任何其他呼吸道疾病。该组合物以各种配方和试剂盒的形式提供。本专利的产品适用于哮喘、慢性阻塞性肺病或任何其他呼吸道疾病的预防和治疗。
• Heterocyclic amide derivatives
  申请人：ICI AMERICAS INC.

  公开号：EP0199543B1

  公开（公告）日：1991-12-04
• MATASSA, VICTOR G.;BROWN, FREDERICK J.;BERNSTEIN, PETER R.;SHAPIRO, HOWAR+, J. MED. CHEM., 33,(1990) N, C. 2621-2629
  作者：MATASSA, VICTOR G.、BROWN, FREDERICK J.、BERNSTEIN, PETER R.、SHAPIRO, HOWAR+

  DOI：——

  日期：——
• COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE
  申请人：Robinson Cynthia B.

  公开号：US20090317476A1

  公开（公告）日：2009-12-24

  A pharmaceutical or veterinary composition, comprises a first active agent selected from a dehydroepiandrosterone and/or dehydroepiandrosterone-sulfate, or a salt thereof, and a second active agent comprising a leukotriene receptor antagonist for the treatment of asthma, chronic obstructive pulmonary disease, or other respiratory diseases. The composition is provided in various formulations and in the form of a kit. The products of this patent are applied to the prophylaxis and treatment of asthma, chronic obstructive pulmonary disease, or other respiratory diseases.
• US4859692A
  申请人：——

  公开号：US4859692A

  公开（公告）日：1989-08-22