N-α-lipoylaminoethanesulfonic acid | 498557-12-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: N-α-lipoylaminoethanesulfonic acid
• 英文别名: 2-[5-(dithiolan-3-yl)pentanoylamino]ethanesulfonic acid
• CAS: 498557-12-3
• 化学式: C₁₀H₁₉NO₄S₃
• 分子量: 313.463
• InChiKey: MWNSABYZRPRURL-UHFFFAOYSA-N

物化性质

• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-α-lipoylaminoethanesulfonic acid 、 basic magnesium carbonate 以 水 为溶剂， 生成 N-α-lipoylaminoethanesulfonic acid magnesium salt
  参考文献：
  名称：

  NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF

  摘要：

  公开号：

  EP1371640B1
• 作为产物：
  描述：

  2-(5-(1,2-dithiolan-3-yl)pentamido)ethanesulfonic acid sodium salt 在 sulfonic acid type resin 作用下， 以 水 为溶剂， 生成 N-α-lipoylaminoethanesulfonic acid
  参考文献：
  名称：

  NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF

  摘要：

  公开号：

  EP1371640B1

文献信息

• Formulations Comprising Lipoyl Compounds
  申请人：Ischemix, LLC

  公开号：US20150329519A1

  公开（公告）日：2015-11-19

  Provided herein are aqueous pharmaceutical formulations comprising monomeric lipoyl compounds, such as compounds of Structural Formula I: The formulations comprise a lipoyl compound comprising at least one acidic substituent; and an inorganic base in an amount sufficient to deprotonate each acidic substituent in the lipoyl compound. In certain embodiments, the formulations have a pH of from about 6.5 to about 8.0 and a tonicity of from about 250 mOsm to about 350 mOsm.

  本文提供了含有单体脂硫醇化合物的水性制药配方，例如结构式I中的化合物：这些配方包括至少含有一个酸性取代基的脂硫醇化合物；以及足以去质子化脂硫醇化合物中的每个酸性取代基的无机碱。在某些实施方式中，这些配方的pH值约为6.5至8.0，渗透压约为250 mOsm至350 mOsm。
• [EN] FORMULATIONS COMPRISING LIPOYL COMPOUNDS<br/>[FR] FORMULATIONS COMPRENANT DES COMPOSÉS DE LIPOYLE
  申请人：ISCHEMIX LLC

  公开号：WO2015174948A1

  公开（公告）日：2015-11-19

  Provided herein are aqueous pharmaceutical formulations comprising lipoyl compounds, such as compounds of Structural Formula (I): The formulations comprise a lipoyl compound comprising at least one acidic substituent; and an inorganic base in an amount sufficient to deprotonate each acidic substituent in the lipoyl compound. In certain embodiments, the formulations have a pH of from about 6.5 to about 8.0 and a tonicity of from about 250 mOsm to about 350 mOsm.

  本文提供的是含有脂酰化合物的水性制药配方，例如结构式（I）中的化合物：这些配方包括含有至少一个酸性取代基的脂酰化合物；以及足够量的无机碱，用于去质子化脂酰化合物中的每个酸性取代基。在某些实施例中，这些配方的pH值约为6.5至8.0，渗透压约为250 mOsm至350 mOsm。
• Compositions and methods for treating traumatic brain injury
  申请人：Ischemix LLC

  公开号：US10744115B2

  公开（公告）日：2020-08-18

  The present invention relates, in certain embodiments, to methods for preventing and/or treating neurodegenerative damage (e.g., secondary cascade of neurodegenerative damage) and improving functional outcomes (e.g., outcomes associated with cognitive, behavior and sensorimotor function) caused by traumatic brain injury using neuroprotective lipoyl compounds. The present invention also provides, in various embodiments, compositions for use in treating and/or preventing TBI in a subject in need thereof, compounds for use in the manufacture of a medicament for treating and/or preventing TBI in a subject in need thereof, and methods of preparing a pharmaceutical composition for treating and/or preventing secondary brain damage caused by TBI.

  在某些实施方案中，本发明涉及使用神经保护性脂酰基化合物预防和/或治疗由创伤性脑损伤引起的神经退行性损伤（例如，继发性神经退行性损伤级联）和改善功能结果（例如，与认知、行为和感觉运动功能相关的结果）的方法。在各种实施方案中，本发明还提供了用于治疗和/或预防有需要的受试者的创伤性脑损伤的组合物、用于制造治疗和/或预防有需要的受试者的创伤性脑损伤的药物的化合物，以及制备治疗和/或预防创伤性脑损伤引起的继发性脑损伤的药物组合物的方法。
• Unit dosage forms for the treatment of herpes simplex
  申请人：——

  公开号：US20010031737A1

  公开（公告）日：2001-10-18

  The components of this invention are chosen because of their complementarity for the prevention or treatment of diseases caused by the herpes simplex virus. L-Lysine favorably increases the physiologic immunomodulation necessary for defense against this virus. Zinc improves and maintains a normal immune response. 2-Deoxy-2-D-glucose and heparin sodium alter the surface interaction between the herpes virus and the cell, preventing fusion and infectivity. N-Acetyl-L-cysteine increases glutathione levels thereby creating a thiol redox barrier to the virus at the cell membrane. Quercetin reduces intracellular replication of the herpes virus and viral infectivity. Ascorbate, in concert with copper and D-&agr;-tocopherol, provides an antioxidant defense against the herpes virus, which tends to lose latency during period of oxidative, free radical excess. Selenium and quercetin also participate in reducing various oxidative stresses. Together the components of this invention provide the potential for improved resistance to, improved recovery from, and a decreased frequency of recurrence of herpes simplex virus infection.

  之所以选择本发明的成分，是因为它们在预防或治疗由单纯疱疹病毒引起的疾病方面具有互补性。L -赖氨酸能有效提高防御这种病毒所需的生理性免疫调节。锌能改善和维持正常的免疫反应。2-Deoxy-2-D-glucose 和肝素钠能改变疱疹病毒与细胞之间的表面相互作用，防止融合和感染。N-乙酰-L-半胱氨酸能提高谷胱甘肽的含量，从而在细胞膜上形成一道阻挡病毒的硫醇氧化还原屏障。槲皮素能减少疱疹病毒在细胞内的复制，降低病毒的感染性。抗坏血酸与铜和 D-&agr;-生育酚共同为疱疹病毒提供抗氧化防御，因为疱疹病毒在氧化和自由基过剩期间往往会失去潜伏性。硒和槲皮素也参与减少各种氧化压力。本发明的这些成分合在一起，有可能提高对单纯疱疹病毒感染的抵抗力，改善恢复情况，并降低复发频率。
• Dosage forms useful for modifying conditions and functions associated with hearing loss and/or tinnitus
  申请人：——

  公开号：US20020061870A1

  公开（公告）日：2002-05-23

  The invention defines interdependent biofactors and biomolecules, and clinically useful formulations that are comprised of them. The active agents are demonstrated to be complementary in their physiologic functions especially as these relate to the quenching of free radicals and to the support of endothelial physiology, the reduction of hyperinsulinemia and improvements in vascular health. The active components of the invention are selected for inclusion in precise combinations specifically because they improve these various conditions and physiological functions, and by so doing reduce a variety of risks associated with hearing loss and tinnitus. The resulting enhancement of general systemic vascular health, improvement in local VIII th nerve vascular health, modulation of conditions surrounding blood fluid dynamics, the consequences of hyperinsulinemia, and improvements in free radical defenses, all reduce the potential for cochlear hair cell death and VIII th nerve atrophy, and the hearing loss and possible deafness that accompany them.

  本发明定义了相互依存的生物因子和生物分子，以及由它们组成的临床实用配方。活性成分在生理功能上具有互补性，特别是在淬灭自由基、支持内皮生理机能、降低高胰岛素血症和改善血管健康方面。本发明的活性成分之所以被选入精确的组合中，特别是因为它们能改善这些不同的状况和生理功能，从而降低与听力损失和耳鸣相关的各种风险。由此增强全身血管健康，改善局部 VIII 神经血管健康 神经血管健康、调节血液流体动力学、高胰岛素血症的后果以及改善自由基防御能力，所有这些都能降低耳蜗毛细胞死亡和 VIIIth 神经损伤的可能性。 神经萎缩 神经萎缩的可能性，以及随之而来的听力损失和可能的耳聋。