(S)-4-[4-((5-acetyl-2-hydroxyphenyl)thio)-2-chlorophenyl]-2-amino-2-propylbutylphosphoric acid monoester | 1383617-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-4-[4-((5-acetyl-2-hydroxyphenyl)thio)-2-chlorophenyl]-2-amino-2-propylbutylphosphoric acid monoester
• 英文别名: [(2S)-2-[2-[4-(5-acetyl-2-hydroxyphenyl)sulfanyl-2-chlorophenyl]ethyl]-2-aminopentyl] dihydrogen phosphate
• CAS: 1383617-56-8
• 化学式: C₂₁H₂₇ClNO₆PS
• 分子量: 487.941
• InChiKey: XMLQXVUTAJBDLD-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  155
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT
  申请人：Ishikawa Kumi

  公开号：US20130261089A1

  公开（公告）日：2013-10-03

  [Problem] To provide a diphenyl sulfide derivative which is useful as a pharmaceutical product that has excellent S1P3 antagonist activity. [Solution] The inventors have discovered that a diphenyl sulfide derivative represented by general formula (1) (wherein R1 represents an alkoxy group having 1-6 carbon atoms, R2 represents a propyl group or an allyl group, X represents methylene or an oxygen atom, and Z represents a halogen atom) has excellent S1P3 antagonist activity as a result of extensive researches for the production of a compound that has S1P3 antagonist activity.

  提供一种二苯硫醚衍生物，作为一种具有优异S1P3拮抗活性的药用产品。发明者发现，通过对具有S1P3拮抗活性的化合物的生产进行广泛研究，一种由通式（1）表示的二苯硫醚衍生物（其中R1代表具有1-6个碳原子的烷氧基，R2代表丙基基团或烯丙基团，X代表亚甲基或氧原子，Z代表卤素原子）具有优异的S1P3拮抗活性。
• US8993543B2
  申请人：——

  公开号：US8993543B2

  公开（公告）日：2015-03-31