[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic 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: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
• 化学式: C31H52N4O7
• 分子量: 592.8
• InChiKey: KNGFNEAADIGEDR-LZGTXFPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  201
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• INCREASING CEREBRAL BIOAVAILABILITY OF DRUGS
  申请人：Enos Pharmaceuticals, Inc.

  公开号：EP1175210A1

  公开（公告）日：2002-01-30
• EP1175210A4
  申请人：——

  公开号：EP1175210A4

  公开（公告）日：2003-07-09
• [EN] INCREASING CEREBRAL BIOAVAILABILITY OF DRUGS<br/>[FR] RENFORCEMENT DE LA BIODISPONIBILITE DES MEDICAMENTS DANS LE CERVEAU
  申请人：ENOS PHARMACEUTICALS INC

  公开号：WO2000056328A1

  公开（公告）日：2000-09-28

  A method and compositions are provided for increased cerebral bioavailability of blood-born compositions by administering the composition of interest while increasing brain NO levels. This increase in NO levels may be accomplished by stimulating increased production of NO by eNOS, especially by adminstering L-arginine, by administering agents that increase NO levels independent of ecNOS, or by any combination of these methods. As NO is increased, cerebral blood flow is consequently increased, and drugs in the blood stream are carried along with the increased flow into brain tissue. By increased flow, the site of action will be exposed to more drug molecules. By stimulating increased NO production, administration of drugs that are not easily introduced to the brain may be facilitated and/or the serum concentration necessary to achieve desired physiologic effects may be reduced.