(4-{(R)-2-[(R)-5-(3-Chloro-phenyl)-2-oxo-oxazolidin-3-yl]-propyl}-phenoxy)-methanesulfonic acid | 742676-98-8

• 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: (4-{(R)-2-[(R)-5-(3-Chloro-phenyl)-2-oxo-oxazolidin-3-yl]-propyl}-phenoxy)-methanesulfonic acid
• 英文别名: [4-[(2R)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]phenoxy]methanesulfonic acid
• CAS: 742676-98-8
• 化学式: C₁₉H₂₀ClNO₆S
• 分子量: 425.89
• InChiKey: IQAHCLYTIYVXES-ACJLOTCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-{(R)-2-[(R)-5-(3-Chloro-phenyl)-2-oxo-oxazolidin-3-yl]-propyl}-phenoxy)-methanesulfonic acid 在 sodium hydroxide 作用下， 以84%的产率得到BMS-187413
  参考文献：
  名称：

  Carboxyl-promoted enhancement of selectivity for the β3 adrenergic receptor. Negative charge of the sulfonic acid BMS-187413 introduces-β3 binding selectivity

  摘要：

  Carboxyl and other negatively charged groups were found to be most effective at producing human beta(3) adrenergic receptor binding selectivity in 1 (BRL 37344) and related compounds. The sulfonic acid analog 7 (BMS-187413) is a novel and potent beta(3) adrenergic agonist that binds selectively, and thus has an in vitro profile that compares favorably with that of BRL 37344. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00266-7
• 作为产物：
  描述：

  (R)-(-)-2-(4-甲氧基苯基)-1-甲基乙胺 在 盐酸 、 sodium hydroxide 、 三溴化硼 、 三乙胺 、 N-三甲基硅基乙酰胺 作用下， 以 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4-{(R)-2-[(R)-5-(3-Chloro-phenyl)-2-oxo-oxazolidin-3-yl]-propyl}-phenoxy)-methanesulfonic acid
  参考文献：
  名称：

  Carboxyl-promoted enhancement of selectivity for the β3 adrenergic receptor. Negative charge of the sulfonic acid BMS-187413 introduces-β3 binding selectivity

  摘要：

  Carboxyl and other negatively charged groups were found to be most effective at producing human beta(3) adrenergic receptor binding selectivity in 1 (BRL 37344) and related compounds. The sulfonic acid analog 7 (BMS-187413) is a novel and potent beta(3) adrenergic agonist that binds selectively, and thus has an in vitro profile that compares favorably with that of BRL 37344. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00266-7

文献信息

• [EN] POLYMER COMPOSITIONS CONTAINING SUBSTITUTED BIPHENYL PYRAZINES<br/>[FR] COMPOSITIONS DE POLYMERES RENFERMANT DES PYRAZINES BIPHENYLIQUES SUBSTITUEES
  申请人：HOECHST CELANESE CORPORATION

  公开号：WO1996012750A1

  公开（公告）日：1996-05-02

  (EN) The present invention provides novel substituted biphenyl pyrazines or pyrazine derivatives ('BPD') which are functional and have useful application as a monomer for a variety of high performance polymers such as polyester, polyarylate, polycarbonate, polyetherketones, epoxides, polyimides, polyamides, and polyamides-imides; and as pigments for coating compositions such as paints. These BPD have general formula (I) wherein R1-R8 and n are defined herein.(FR) Nouvelles pyrazines biphényliques substituées ou nouveaux dérivés pyraziniques (BPD) sous forme fonctionnelle, utilisables comme monomère destiné à différents polymères performants tels que polyester, polyarylate, polycarbonate, polyéthercétones, époxydes, polyimides, polyamides et polyamides-imides; et comme pigments destinés à des compositions de revêtement telles que les peintures. Ces BPD répondent à la formule (I), dans laquelle R1 à R8 et n sont définis ici.
• Carboxyl-promoted enhancement of selectivity for the β3 adrenergic receptor. Negative charge of the sulfonic acid BMS-187413 introduces-β3 binding selectivity
  作者：Philip M. Sher、Arvind Mathur、Liesl G. Fisher、Gang Wu、Stephen Skwish、Inge M. Michel、Steven M. Seiler、Kenneth E.J. Dickinson

  DOI：10.1016/s0960-894x(97)00266-7

  日期：1997.6

  Carboxyl and other negatively charged groups were found to be most effective at producing human beta(3) adrenergic receptor binding selectivity in 1 (BRL 37344) and related compounds. The sulfonic acid analog 7 (BMS-187413) is a novel and potent beta(3) adrenergic agonist that binds selectively, and thus has an in vitro profile that compares favorably with that of BRL 37344. (C) 1997 Elsevier Science Ltd.