Simenepag | 910562-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: Simenepag
• 英文别名: 5-{(R)-1-[4-((S)-1-hydroxy-hexyl)-phenyl]-5-oxo-pyrrolidin-2-ylmethoxymethyl}-thiophene-2-carboxylic acid；5-[[(2R)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid
• CAS: 910562-15-1
• 化学式: C₂₃H₂₉NO₅S
• 分子量: 431.553
• InChiKey: NGKFLYGSJDSBQC-QUCCMNQESA-N

物化性质

• 沸点：
  678.6±55.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-{(R)-1-[4-((S)-1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-ylmethoxymethyl}-thiophene-2-carboxylic acid isopropyl ester 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 23.0h， 以67%的产率得到Simenepag
  参考文献：
  名称：

  SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS

  摘要：

  本文揭示了治疗化合物、组合物、药物和方法。

  公开号：

  US20070203222A1

文献信息

• [EN] SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS<br/>[FR] GAMMA LACTAMES SUBSTITUES EN TANT QU'AGENTS THERAPEUTIQUES
  申请人：ALLERGAN INC

  公开号：WO2006098918A3

  公开（公告）日：2006-11-23
• COMBINATION THERAPY FOR GLAUCOMA
  申请人：Allergan, Inc.

  公开号：EP2288385A2

  公开（公告）日：2011-03-02
• Combination Therapy For Glaucoma
  申请人：Whitcup Scott M.

  公开号：US20110152328A1

  公开（公告）日：2011-06-23

  Disclosed herein is method of treating glaucoma or ocular hypertension comprising administering a prostaglandin agonist and a second therapeutically active agent to a mammal in need thereof, wherein said second therapeutically active agent is selected from: β-Blockers, Adrenergic Agonists, non-selective adrenergic agonists, α2-selective adrenergic agonists, Carbonic Anhydrase Inhibitors, Cholinergic Agonists, direct acting cholinergic agonists, chlolinesterase inhibitors, Glutamate Antagonists, Ca 2+ channel blockers, Prostamides, Prostaglandins, Cannabinoids, and combinations thereof. Compositions and medicaments containing a combination of these two active agents are also disclosed.
• Combination therapy for glaucoma
  申请人：ALLERGAN, INC.

  公开号：US20140235681A1

  公开（公告）日：2014-08-21

  Disclosed herein is method of treating glaucoma or ocular hypertension comprising administering a prostaglandin agonist and a second therapeutically active agent to a mammal in need thereof, wherein said second therapeutically active agent is selected from: β-Blockers, Adrenergic Agonists, non-selective adrenergic agonists, α 2 -selective adrenergic agonists, Carbonic Anhydrase Inhibitors, Cholinergic Agonists, direct acting cholinergic agonists, chlolinesterase inhibitors, Glutamate Antagonists, Ca 2+ channel blockers, Prostamides, Prostaglandins, Cannabinoids, and combinations thereof. Compositions and medicaments containing a combination of these two active agents are also disclosed.
• MACROGOL 15 HYDROXYSTEARATE FORMULATIONS
  申请人：Allergan, Inc.

  公开号：US20210275497A1

  公开（公告）日：2021-09-09

  Provided herein are compositions, which include an active pharmaceutical ingredient and macrogol 15 hydroxystearate, and methods for using the same for treating diseases or disorder.