methyl 2-[(2-{(1R,5S)-2-oxo-5-[(1E,4S)-7,8,8-trifluoro-4-hydroxy-4-methyl-1,7-octadien-1-yl]-3-cyclopenten-1-yl}ethyl)thio]-1,3-thiazole-4-carboxylate | 1257557-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2-[(2-{(1R,5S)-2-oxo-5-[(1E,4S)-7,8,8-trifluoro-4-hydroxy-4-methyl-1,7-octadien-1-yl]-3-cyclopenten-1-yl}ethyl)thio]-1,3-thiazole-4-carboxylate
• 英文别名: methyl 2-[2-[(1R,5S)-2-oxo-5-[(1E,4S)-7,8,8-trifluoro-4-hydroxy-4-methylocta-1,7-dienyl]cyclopent-3-en-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
• CAS: 1257557-59-7
• 化学式: C₂₁H₂₄F₃NO₄S₂
• 分子量: 475.553
• InChiKey: WOELFFQXKIORMP-VMQLILFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• COMPOUND HAVING DETRUSOR MUSCLE-CONTRACTING ACTIVITY AND URETHRAL SPHINCTER MUSCLE-RELAXING ACTIVITY
  申请人：Ohmoto Kazuyuki

  公开号：US20120088805A1

  公开（公告）日：2012-04-12

  Since a compound represented by formula (I) wherein all of the symbols are the same as defined in the specification, a salt thereof, a solvate thereof, a prodrug thereof, a mixture with a diastereomer thereof in an arbitrary ratio, or a cyclodextrin clathrate thereof have a contracting activity of bladder detrusor and a relaxing activity of urethral sphincter, they can ameliorate bladder contraction dysfunction and/or urethral relaxation dysfunction, and for example, are effective for underactive bladder. Additionally, the compound of the present invention has little risk of side effects on the urinary system, the circulatory system and the digestive system, and exhibits excellent pharmacokinetics, such as oral absorbability etc. Therefore, the compound of the present invention is useful as a superior agent for preventing, treating and/or ameliorating underactive bladder.

  由式(I)所代表的化合物，其中所有符号的定义与说明书中相同，其盐、溶剂合物、前药、任意比例的对映异构体混合物或环糊精包合物具有收缩膀胱去甲肌活性和放松尿道括约肌活性，它们可以改善膀胱收缩功能障碍和/或尿道松弛功能障碍，例如，对于无力膀胱非常有效。此外，本发明的化合物对泌尿系统、循环系统和消化系统的副作用风险很小，并表现出优异的药代动力学，如口服吸收等。因此，本发明的化合物在预防、治疗和/或改善无力膀胱方面具有优越的作用。
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  申请人：——

  公开号：US8410281B2

  公开（公告）日：2013-04-02
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  申请人：——

  公开号：US8716490B2

  公开（公告）日：2014-05-06
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  申请人：——

  公开号：US9150528B2

  公开（公告）日：2015-10-06