(S)-2-(4-chlorophenyl)butanoic acid | 1379442-77-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-2-(4-chlorophenyl)butanoic acid
• 英文别名: (2R)-2-(4-chlorophenyl)butanoic acid
• CAS: 1379442-77-9
• 化学式: C₁₀H₁₁ClO₂
• 分子量: 198.649
• InChiKey: CVZHTBMFVPENFE-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 甲醇 、 mercury dichloride 、 水 、 lithium hydroxide 作用下， 以 水 、 乙醇 为溶剂， 反应 18.0h， 生成 (S)-2-(4-chlorophenyl)butanoic acid 、 (S)-2-(4-chlorophenyl)butanoic acid
  参考文献：
  名称：

  The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators

  摘要：

  Free fatty acid receptor 2 (FFA2) is a G-protein coupled receptor for which only short-chain fatty acids (SCFAs) have been reported as endogenous ligands. We describe the discovery and optimization of phenylacetamides as allosteric agonists of FFA2. These novel ligands can suppress adipocyte lipolysis in vitro and reduce plasma FFA levels in vivo, suggesting that these allosteric modulators can serve as pharmacological tools for exploring the potential function of FFA2 in various disease conditions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.112

文献信息

• US20140275161A1
  申请人：——

  公开号：US20140275161A1

  公开（公告）日：2014-09-18
• COMBINATION THERAPY
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US20160346269A1

  公开（公告）日：2016-12-01

  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.
• US9415043B2
  申请人：——

  公开号：US9415043B2

  公开（公告）日：2016-08-16
• US9931336B2
  申请人：——

  公开号：US9931336B2

  公开（公告）日：2018-04-03