4-O-[(1R,2R,3aS,9aS)-1-[(3R)-3-hydroxyoctyl]-5-(2-methoxy-2-oxoethoxy)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-yl] 1-O-ethyl butanedioate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-O-[(1R,2R,3aS,9aS)-1-[(3R)-3-hydroxyoctyl]-5-(2-methoxy-2-oxoethoxy)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-yl] 1-O-ethyl butanedioate
• 化学式: C₃₀H₄₄O₈
• 分子量: 532.7
• InChiKey: RXWJLIMAYSUSPG-QEXRHJMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• [EN] PRODRUGS OF TREPROSTINIL<br/>[FR] PROMÉDICAMENTS DE TRÉPROSTINIL
  申请人：THERATROPHIX LLC

  公开号：WO2014110491A1

  公开（公告）日：2014-07-17

  Prodrugs of treprostinil are provided which can be used in the treatment of pulmonary hypertension (PH) or pulmonary arterial hypertension (PAH). The structures of the compounds can be adapted to the particular application for a suitable treatment dosage. Transdermal applications can be used.

  Treprostinil的前药提供了，可用于治疗肺动脉高压（PH）或肺动脉高压（PAH）。这些化合物的结构可以根据适当的治疗剂量适应特定应用。可以使用经皮应用。
• Treprostinil derivative compounds and methods of using same
  申请人：CORSAIR PHARMA, INC.

  公开号：US10344012B2

  公开（公告）日：2019-07-09

  Compounds represented by formulae I, II, III, and IV including pro-drugs for treprostinil and prostacyclin analogs. Uses include treatment of pulmonary hypertension (PH) or pulmonary arterial hypertension (PAH). The structures of the compounds can be adapted to the particular application for a suitable treatment dosage. Transdermal applications can be used.

  式 I、II、III 和 IV 所代表的化合物，包括曲普瑞替尼原药和前列环素类似物。用途包括治疗肺动脉高压（PH）或肺动脉高压（PAH）。化合物的结构可根据特定应用进行调整，以获得合适的治疗剂量。可采用透皮应用。
• PRODRUGS OF TREPROSTINIL
  申请人：Corsair Pharma, Inc.

  公开号：EP3712142B1

  公开（公告）日：2022-07-06
• US20140256730A1
  申请人：——

  公开号：US20140256730A1

  公开（公告）日：2014-09-11
• TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME
  申请人：CORSAIR PHARMA, INC.

  公开号：US20160368889A1

  公开（公告）日：2016-12-22

  Compounds represented by formulae I, II, III, and IV including pro-drugs for treprostinil and prostacyclin analogs. Uses include treatment of pulmonary hypertension (PH) or pulmonary arterial hypertension (PAH). The structures of the compounds can be adapted to the particular application for a suitable treatment dosage. Transdermal applications can be used.