3-hydroxy-2,2-bis(hydroxymethyl)propyl 7-((1R,2R,3R,5S)-2-((R)-3-(benzo[b]thiophen-2-yl)-3-hydroxypropyl)-3,5-dihydroxycyclopentyl)heptanoate | 955005-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3-hydroxy-2,2-bis(hydroxymethyl)propyl 7-((1R,2R,3R,5S)-2-((R)-3-(benzo[b]thiophen-2-yl)-3-hydroxypropyl)-3,5-dihydroxycyclopentyl)heptanoate
• 英文别名: Cyclopentaneheptanoic acid, 2-((3R)-3-benzo(b)thien-2-yl-3-hydroxypropyl)-3,5-dihydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (1R,2R,3R,5S)-；[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 7-[(1R,2R,3R,5S)-2-[(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropyl]-3,5-dihydroxycyclopentyl]heptanoate
• CAS: 955005-63-7
• 化学式: C₂₈H₄₂O₈S
• 分子量: 538.703
• InChiKey: UCGXLCPNFJKWEF-ZSXJVMONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  37
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  176
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 7-[(1R,2R,3R,5S)-2-[(3R)-3-(1-benzothiophen-2-yl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]heptanoate 生成 3-hydroxy-2,2-bis(hydroxymethyl)propyl 7-((1R,2R,3R,5S)-2-((R)-3-(benzo[b]thiophen-2-yl)-3-hydroxypropyl)-3,5-dihydroxycyclopentyl)heptanoate
  参考文献：
  名称：

  Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use

  摘要：

  本发明涉及新型同位原前药、药物和其制备、测试和使用的方法。在一种实施例中，同位原前药具有以下普遍式：其中，n是包括一个羧酸官能团的生物活性基团，而R是通过羧酸官能团与生物活性基团成酯键的同位对称醇，以及其光学异构体、对映异构体、药学上可接受的盐、生物水解的酰胺、酯和亚胺及其组合。

  公开号：

  US20070254920A1

文献信息

• Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use
  申请人：deLong A. Mitchell

  公开号：US20070254920A1

  公开（公告）日：2007-11-01

  This invention relates to novel homotopic prodrugs and medicaments and methods for their preparation, testing and use. In one embodiment, the homotopic prodrug has the general formula wherein is a biologically-active moiety comprising a carboxylic acid functional group, and R b is a homotopically-symmetrical alcohol bonded to the biologically-active moiety through the carboxylic acid functional group to form an ester linkage, as well as optical isomers, enantiomers, pharmaceutically acceptable salts, biohydrolyzable amides, esters, and imides thereof and combinations thereof.

  这项发明涉及新型同位素前药、药物以及其制备、测试和使用方法。在一个实施例中，同位素前药具有一般公式 其中 是包含羧酸官能团的生物活性基团，而 R b 是通过羧酸官能团与生物活性基团形成酯键的同位对称醇，以及其光学异构体、对映异构体、药用可接受盐、生物水解酰胺、酯、亚酰胺及其组合物。
• COMBINATION THERAPY
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US20160243105A1

  公开（公告）日：2016-08-25

  Described herein are compounds and compositions for treating glaucoma and/or reducing intraocular pressure. Compositions may comprise an isoquinoline compound and a prostaglandin or a prostaglandin analog. Compounds described herein include those in which an isoquinoline compound is covalently linked to a prostaglandin or a prostaglandin analog, and those in which an isoquinoline compound and a prostaglandin free acid together form a salt.

  本文描述了用于治疗青光眼和/或降低眼内压力的化合物和组合物。组合物可以包括异喹啉化合物和前列腺素或前列腺素类似物。所描述的化合物包括那些异喹啉化合物与前列腺素或前列腺素类似物共价键结合的化合物，以及异喹啉化合物和前列腺素自由酸一起形成盐的化合物。
• COMPOUND FOR USE IN THE TREATMENT OF OCULAR DISORDERS
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：EP3811943A1

  公开（公告）日：2021-04-28

  Described herein are compounds and compositions for treating glaucoma and/or reducing intraocular pressure. Compositions may comprise an isoquinoline compound and a prostaglandin or a prostaglandin analog. Compounds described herein include those in which an isoquinoline compound is covalently linked to a prostaglandin or a prostaglandin analog, and those in which an isoquinoline compound and a prostaglandin free acid together form a salt.

  本文描述了用于治疗青光眼和/或降低眼内压的化合物和组合物。 组合物可包括异喹啉化合物和前列腺素或前列腺素类似物。 本文所述的化合物包括异喹啉化合物与前列腺素或前列腺素类似物共价连接的化合物，以及异喹啉化合物和前列腺素游离酸共同形成盐的化合物。
• Combination therapy
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US10588901B2

  公开（公告）日：2020-03-17

  Described herein are compounds and compositions for treating glaucoma and/or reducing intraocular pressure. Compositions may comprise an isoquinoline compound and a prostaglandin or a prostaglandin analog. Compounds described herein include those in which an isoquinoline compound is covalently linked to a prostaglandin or a prostaglandin analog, and those in which an isoquinoline compound and a prostaglandin free acid together form a salt.

  本文描述了用于治疗青光眼和/或降低眼内压的化合物和组合物。组合物可包括异喹啉化合物和前列腺素或前列腺素类似物。本文所述的化合物包括异喹啉化合物与前列腺素或前列腺素类似物共价连接的化合物，以及异喹啉化合物和前列腺素游离酸共同形成盐的化合物。
• Drug delivery devices for delivery of ocular therapeutic agents
  申请人：Novaer Holdings, Inc.

  公开号：US10869833B2

  公开（公告）日：2020-12-22

  Drug delivery devices comprising a non-bioabsorbable polymer structure configured to support a composition comprising an active agent. The devices include a plurality of portions fused together and a recess configured to support the composition. At least one of the portions includes an impermeable polymer and at least one other portion includes a rate-limiting water-permeable polymer. The rate-limiting water-permeable polymer allows for transportation of the active agent to an exterior of the device.

  药物输送装置包括一种非生物可吸收聚合物结构，该结构被配置为支撑包含活性剂的组合物。这些装置包括多个融合在一起的部分和一个凹槽，凹槽被配置为支撑组合物。其中至少一个部分包括不透水聚合物，至少另一个部分包括限速透水聚合物。限速透水聚合物可将活性剂输送到装置外部。