[4S-[4α(R*),7α,10aβ]]-octahydro-4-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-5-oxo-7H-pyrido[2,1-b] [1,3]thiazepine-7-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [4S-[4α(R*),7α,10aβ]]-octahydro-4-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-5-oxo-7H-pyrido[2,1-b] [1,3]thiazepine-7-carboxylic acid
• 英文别名: (4S,7S,10aS)-5-oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
• 化学式: C₁₉H₂₄N₂O₄S₂
• 分子量: 408.543
• InChiKey: LVRLSYPNFFBYCZ-OJTCVJSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Dynamic resolution of isomers and resolved isomers
  申请人：——

  公开号：US20020111512A1

  公开（公告）日：2002-08-15

  Provided is a dynamic resolution method of enriching a desired isomer of an alpha-substituted carboxylic acid relative to an undesired isomer, the method comprising: (a) in a solvent, contacting the alpha-substituted carboxylic acid, wherein the alpha substitution is with a leaving group and wherein the alpha carbon is chiral, with a homochiral amine to form a salt that is partially insoluble under selected reaction conditions, wherein the homochiral amine is selected so that the solubility of the amine salt of the undesired alpha-substituted carboxylic acid is greater than that of the amine salt of the desired alpha-substituted carboxylic acid under the selected reaction conditions; (b) reacting under the selected reaction conditions the salt with a nucleophile, wherein the reacting is effective in producing a net increase in the less soluble amine salt of the alpha-substituted carboxylic acid, and wherein the selected conditions are selected to (i) promote nucleophilic substitution of the nucleophile and the leaving group or (ii) to produce the increase in the less soluble amine salt in the absence of a strong base; and (c) maintaining the reaction for a period of time effective to increase the amount of the desired alpha-substituted carboxylic acid isomer.

  提供一种动态分辨方法，用于富集所需的α-取代羧酸同分异构体相对于不需要的同分异构体，该方法包括：（a）在溶剂中，将α-取代羧酸与手性同构胺接触，其中α取代基带有离去基团，α碳是手性的，形成部分不溶于所选反应条件下的盐，其中所选的手性同构胺被选择为在所选反应条件下，不需要的α-取代羧酸胺盐的溶解度大于所需的α-取代羧酸胺盐的溶解度；（b）在所选的反应条件下，用亲核试剂反应所述盐，反应有效地产生较不溶的α-取代羧酸胺盐的净增加，所选条件被选择为（i）促进亲核试剂和离去基团的亲核取代或（ii）在没有强碱的情况下产生较不溶的胺盐的增加；（c）维持反应一段有效时间，以增加所需的α-取代羧酸同分异构体的数量。
• Recrystallization processes
  申请人：——

  公开号：US20020086995A1

  公开（公告）日：2002-07-04

  Mercaptoalkanoylamino lactam acids are recrystallized by treatment with an agent that minimizes the formation of disulfides. Suitable agents are bismercaptans, phosphine or phosphite reducing agents, zinc metal powder, and sodium hydrosulfite.

  Mercaptoalkanoylamino内酰胺酸通过用最小化二硫化物形成的试剂处理而重新结晶。适合的试剂包括双硫醇、膦或亚磷酸还原剂、锌金属粉末和亚硫酸氢钠。
• Reducing pulse pressures and vascular stiffness in hypertensive patients by administering a vasopeptidase inhibitor
  申请人：——

  公开号：US20030144269A1

  公开（公告）日：2003-07-31

  Vasopeptidase inhibitors, especially omapatrilat, are useful in reducing central and peripheral pulse pressure and vascular stiffness in hypertensive patients. The vasopeptidase inhibitor may be used in combination with other pharmaceutically active agents.

  血管肽酶抑制剂，尤其是奥马普利拉，有助于降低高血压患者的中心和外周脉压以及血管僵硬度。血管肽酶抑制剂可与其他药物活性剂联合使用。
• Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage
  申请人：Stephenson T. Diane

  公开号：US20050070543A1

  公开（公告）日：2005-03-31

  The present invention provides compositions and methods for the treatment of central nervous system damage in a subject. More particularly, the invention provides a combination therapy for the treatment of a central nervous system ischemic condition or a central nervous system traumatic injury comprising the administration to a subject of an ACE inhibitor in combination with a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor.

  本发明提供了治疗受试者中枢神经系统损伤的组合物和方法。 更具体地说，本发明提供了一种用于治疗中枢神经系统缺血性疾病或中枢神经系统创伤性损伤的组合疗法，包括向受试者施用 ACE 抑制剂与铬烯或苯乙酸环氧化酶-2 选择性抑制剂。
• Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0629627B1

  公开（公告）日：2004-05-06