辛酸,8-[甲基(2-硫代乙基)氨基]-8-羰基-,加合,N-二乙基乙胺(1:1) | 121838-84-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 辛酸,8-[甲基(2-硫代乙基)氨基]-8-羰基-,加合,N-二乙基乙胺(1:1)
• 英文名称: suleptanic acid triethylamine salt
• 英文别名: 8-[methyl(2-sulfoethyl)amino]-8-oxooctanoic acid triethylammonium salt；suleptanic acid triethylammonium salt；2-[7-Carboxyheptanoyl(methyl)amino]ethanesulfonate;triethylazanium
• CAS: 121838-84-4
• 化学式: C₆H₁₅N*C₁₁H₂₁NO₆S
• 分子量: 396.549
• InChiKey: XAIRJHCERLWZKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-chlorobenzyl)-8-fluoro-4-hydroxy-6-(3-hydroxypropyl)-3-quinoline-carboxamide 、 辛酸,8-[甲基(2-硫代乙基)氨基]-8-羰基-,加合,N-二乙基乙胺(1:1) 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 sodium sulfate 作用下， 以 四氢呋喃 、 氯仿 、 乙腈 、 甲醇 、 水 、 正丁醇 为溶剂， 反应 18.0h， 生成 sodium 2-[{8-[3-(3-{[(4-chlorobenzyl)amino]carbonyl}-8-fluoro-4-hydroxy-6-quinolinyl)propoxy]-8-oxooctanoyl}(methyl)amino]-1-ethanesulfonate
  参考文献：
  名称：

  4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS

  摘要：

  公开号：

  EP1042295B1

文献信息

• Oxazinoquinolones useful for the treatment of viral infections
  申请人：——

  公开号：US20020103170A1

  公开（公告）日：2002-08-01

  The present invention provides a compound of formula I 1 which is useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物I1的公式，该化合物可用作抗病毒剂，特别是用作抗疱疹病毒家族的药剂。
• Renin inhibitory peptides. Incorporation of polar, hydrophilic end groups into an active renin inhibitory peptide template and their evaluation in a human renin-infused rat model and in conscious sodium-depleted monkeys
  作者：Suvit Thaisrivongs、Donald T. Pals、Donald W. DuCharme、Steve R. Turner、Garry L. DeGraaf、Judy A. Lawson、Sally J. Couch、Mark V. Williams

  DOI：10.1021/jm00106a026

  日期：1991.2

  We previously reported that Boc-Pro-Phe-N-MeHis-Leu-psi[CHOHCH2]?? -Ile-Amp (1) is a potent and specific inhibitor of human renin in vitro. It was shown to resist degradation by selected proteases and a rat liver homogenate. It was shown to inhibit plasma renin activity and to reduce blood pressure in renin-dependent-animal models both by the intravenous and by the oral routes using dilute citric acid as vehicle. In an effort to discover compounds with improved pharmacological efficacy, we set out to modify the physical characteristics of this highly lipophilic renin inhibitor by incorporation of hydrophilic end groups. We report here a variety of water-solubilizing groups and the resulting structure-activity relationship of these compounds. They all maintain an extremely high level of enzyme inhibitory activity in vitro. Evaluation of these potent renin inhibitors in a human renin infused rat model suggests that some of these compounds exhibit improved pharmacological efficacy in vivo. This observation was further confirmed in the conscious sodium-depleted cynomolgus monkey. Importantly, the oral efficacy was demonstrated in a water vehicle in the absence of citric acid.
• TRAISRIVONGS, SUVIT;PALS, DONALD T.;DUCHARME, DONALD W.;TURNER, STEVE R.;+, J. MED. CHEM., 34,(1991) N, C. 633-642
  作者：TRAISRIVONGS, SUVIT、PALS, DONALD T.、DUCHARME, DONALD W.、TURNER, STEVE R.、+

  DOI：——

  日期：——
• OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1299395B1

  公开（公告）日：2004-09-15
• US6093732A
  申请人：——

  公开号：US6093732A

  公开（公告）日：2000-07-25