5-(3-{(S)-1-[4-(1-Hydroxyhexyl)-phenyl]-5-oxo-pyrrolidin-2-yl}-propyl)-thiophene-2-carboxylic acid 2-hydroxyethyl ester | 1043876-41-0

• 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: 5-(3-{(S)-1-[4-(1-Hydroxyhexyl)-phenyl]-5-oxo-pyrrolidin-2-yl}-propyl)-thiophene-2-carboxylic acid 2-hydroxyethyl ester
• 英文别名: 2-hydroxyethyl 5-[3-[(2S)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
• CAS: 1043876-41-0
• 化学式: C₂₆H₃₅NO₅S
• 分子量: 473.634
• InChiKey: VTFVKRFGCDQSBY-AJZOCDQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 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-(3-{(S)-1-[4-(1-hydroxy-hexyl)-phenyl]-5-oxo-pyrrolidin-2-yl}-propyl)-thiophene-2-carboxylic acid 、 乙二醇 在 氯甲酸乙酯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以43%的产率得到5-(3-{(S)-1-[4-(1-Hydroxyhexyl)-phenyl]-5-oxo-pyrrolidin-2-yl}-propyl)-thiophene-2-carboxylic acid 2-hydroxyethyl ester
  参考文献：
  名称：

  SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS

  摘要：

  本文揭示了一种包含或其药用可接受的盐、前药或代谢产物的化合物。Y、A和B如本文所述。还公开了与这些化合物相关的方法、组合物和药物。

  公开号：

  US20100093729A1

文献信息

• Substituted gamma lactams as therapeutic agents
  申请人：Allergan, Inc.

  公开号：US07960381B2

  公开（公告）日：2011-06-14

  A compound comprising or a pharmaceutically acceptable salt, prodrug, or a metabolite thereof is disclosed herein. Y, A, and B are as described herein. Methods, compositions, and medicaments related to these compounds are also disclosed.

  本文披露了一种包含或药学上可接受的盐、前药或其代谢物的化合物。Y、A和B如本文所述。还披露了与这些化合物相关的方法、组合物和药物。
• INTRACAMERAL SUSTAINED RELEASE DRUG DELIVERY SYSTEMS
  申请人：ALLERGAN, INC.

  公开号：EP2411013B1

  公开（公告）日：2020-08-19
• OPHTHALMIC COMPOSITIONS COMPRISING POLYVINYL CAPROLACTAM-POLYVINYL ACETATE-POLYETHYLENE GLYCOL GRAFT COPOLYMERS (SOLUPLUS)
  申请人：ALLERGAN, INC.

  公开号：EP2790673B1

  公开（公告）日：2017-07-05
• STABLE AQUEOUS COMPOSITIONS OF PROSTGLANDIN AGONIST PRODRUGS AND METHODS FOR USE THEREOF
  申请人：Burk Robert M.

  公开号：US20110136872A1

  公开（公告）日：2011-06-09

  The present invention is based on the discovery that a marked increase in aqueous stability (and thereby shelf life) of prostanoid agonist prodrug compositions is achieved by incorporating into the compositions certain well-defined carboxylic acids, and thereafter adjusting the pH of the compositions from about 4.0 to about 8.0. As a result, the compositions and methods of the invention provide the aqueous stability required for marketable topical drug treatments of a wide variety of ocular disorders.
• OPHTHALMIC COMPOSITIONS COMPRISING POLYVINYL CAPRALACTAM-POLYVINYL ACETATE-POLYETHYLENE GLYCOL GRAFT COPOLYMERS
  申请人：ALLERGAN, INC.

  公开号：US20130157963A1

  公开（公告）日：2013-06-20

  Compositions and methods related to ophthalmic use of polyvinyl capralactam-polyvinyl acetate-polyethylene glycol graft copolymers and therapeutic uses are described herein.