2-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]octahydro-2H-cyclopenta[b]oxepin-3-yl}-1,3-thiazole-4-carboxylic acid | 1262874-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-{(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]octahydro-2H-cyclopenta[b]oxepin-3-yl}-1,3-thiazole-4-carboxylic acid
• 英文别名: 2-[(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]-1,3-thiazole-4-carboxylic acid
• CAS: 1262874-37-2
• 化学式: C₂₃H₂₇NO₆S
• 分子量: 445.536
• InChiKey: HULKMDMFGKKENJ-NATKLSNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Kambe Tohru

  公开号：US20120122964A1

  公开（公告）日：2012-05-17

  Since a compound represented by the general formula (I) (wherein definition of each group is as described in the specification), a salt thereof, a solvate thereof, or a prodrug thereof has strong and sustaining intraocular pressure lowering activity and, further, has no side effect on eyes such as ocular stimulating property (hyperemia, corneal clouding etc.), aqueous humor protein rise etc., it has high safety, and can be an excellent agent for preventing and/or treating glaucoma etc.

  由一种由通式（I）表示的化合物（其中每个基团的定义如规范中所述），其盐、溶剂合物或前药具有强大且持续的降低眼压活性，并且对眼睛没有副作用，如眼刺激性（充血、角膜混浊等）、房水蛋白上升等，具有高安全性，并可作为预防和/或治疗青光眼等的优秀药物。
• [EN] BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES<br/>[FR] COMPOSÉ BICYCLIQUE ET UTILISATION DE CELUI-CI À DES FINS MÉDICALES
  申请人：ONO PHARMACEUTICAL CO

  公开号：WO2011013651A1

  公开（公告）日：2011-02-03

  　一般式（Ｉ）（式中、各基の定義は明細書中の記載の通り。）で示される化合物、その塩またはその溶媒和物、またはそのプロドラッグは、強力かつ持続的な眼圧下降作用を有し、さらに、眼刺激性（充血、角膜混濁等）、房水タンパク質上昇等の眼に対する副作用がないことから、安全性が高く、かつ優れた緑内障等の予防および／または治療剤となりうる。

  这种化合物，其盐或其溶剂物或其前药，由一般式（I）表示，具有强大而持久的降低眼压作用，并且由于没有眼刺激性（充血、角膜混浊等）和房水蛋白上升等眼部副作用，因此具有高安全性，并且可以成为优秀的青光眼预防和/或治疗药物。其中，各基的定义如详细说明书所述。
• COMPOUND HAVING EP2 AGONISTIC ACTIVITY
  申请人：ONO Pharmaceutical Co., Ltd.

  公开号：EP3327018A1

  公开（公告）日：2018-05-30

  Provided is an EP2 agonist having excellent safety. A compound represented by general formula (I) (wherein all symbols are as defined in the description), a salt or N-oxide of the compound, or a solvate or prodrug of the compound or the salt or N-oxide has an EP2 agonist activity and is highly safe, and is therefore useful as a medicine, particularly a therapeutic agent for diseases associated with EP2 receptors, such as immune diseases, allergic diseases, neuronal death, dysmenorrhea, premature birth, miscarriage, baldness, ocular diseases, erectile dysfunction, arthritis, lung injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, bone diseases and cartilage injury.

  本文提供了一种安全性极佳的 EP2 激动剂。通式（I）代表的化合物 (其中所有符号如描述中所定义）代表的化合物、该化合物的盐或 N-氧化物、或该化合物或其盐或 N-氧化物的溶解物或原药具有 EP2 激动剂活性且安全性极高，因此可用作药物，特别是 EP2 受体相关疾病的治疗剂、如免疫性疾病、过敏性疾病、神经元死亡、痛经、早产、流产、秃头、眼部疾病、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺病、骨病和软骨损伤。
• Bicyclic compound and use thereof for medical purposes
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US10201520B2

  公开（公告）日：2019-02-12

  Since a compound represented by the general formula (I) (wherein definition of each group is as described in the specification), a salt thereof, a solvate thereof, or a prodrug thereof has strong and sustaining intraocular pressure lowering activity and, further, has no side effect on eyes such as ocular stimulating property (hyperemia, corneal clouding etc.), aqueous humor protein rise etc., it has high safety, and can be an excellent agent for preventing and/or treating glaucoma etc.

  由于通式(I)代表的化合物（其中各基团的定义如说明书所述）、其盐、其溶液或其原药具有很强的持续降低眼压活性，而且对眼睛没有副作用，如眼球刺激性（充血、角膜混浊等）、水液蛋白升高等，因此安全性很高，是预防和/或治疗青光眼等疾病的极佳药物。
• Compound having EP2 agonist activity
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US10385045B2

  公开（公告）日：2019-08-20

  Provided is an EP2 agonist having excellent safety. A compound represented by general formula (I) (wherein all symbols are as defined in the description), a salt or N-oxide of the compound, or a solvate or prodrug of the compound or the salt or N-oxide has an EP2 agonist activity and is highly safe, and is therefore useful as a medicine, particularly a therapeutic agent for diseases associated with EP2 receptors, such as immune diseases, allergic diseases, neuronal death, dysmenorrhea, premature birth, miscarriage, baldness, ocular diseases, erectile dysfunction, arthritis, lung injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, bone diseases and cartilage injury.

  本文提供了一种安全性极佳的 EP2 激动剂。通式（I）代表的化合物 (其中所有符号如描述中所定义）代表的化合物、该化合物的盐或 N-氧化物、或该化合物或其盐或 N-氧化物的溶解物或原药具有 EP2 激动剂活性，安全性高，因此可用作药物，特别是 EP2 受体相关疾病的治疗剂、如免疫性疾病、过敏性疾病、神经元死亡、痛经、早产、流产、秃头、眼部疾病、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺病、骨病和软骨损伤。