2(S)-2-[(2S)-2-hydroxy-3-(phenoxy)propylamino]-3-[4-(7-methoxyquinolin-4-yloxy)phenyl]propan-1-ol | 282100-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2(S)-2-[(2S)-2-hydroxy-3-(phenoxy)propylamino]-3-[4-(7-methoxyquinolin-4-yloxy)phenyl]propan-1-ol
• 英文别名: (2S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-[4-(7-methoxyquinolin-4-yl)oxyphenyl]propan-1-ol
• CAS: 282100-01-0
• 化学式: C₂₈H₃₀N₂O₅
• 分子量: 474.557
• InChiKey: GOBPCEJRAFNKRB-VXKWHMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  93.1
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2S)-2-[benzyl[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-[4-(7-methoxyquinolin-4-yloxy)phenyl]propan-1-ol 、 钯 以 甲醇 为溶剂， 以87%的产率得到2(S)-2-[(2S)-2-hydroxy-3-(phenoxy)propylamino]-3-[4-(7-methoxyquinolin-4-yloxy)phenyl]propan-1-ol
  参考文献：
  名称：

  Aminoalcohol derivatives and their use as beta 3 adrenergic agonists

  摘要：

  该化合物的结构式如下：其中X1是化学键或—OCH2—；X2是—(CH2)n—，其中n为1、2或3；X3是化学键，—O—，—S—，—OCH2—或—NH—；R1是苯基或吡啶基，每个基上可能有一个或两个亚基，如羟基、卤素等；R2是氢、（低）烷氧羰基等；R3是羟基（低）烷基、卤代（低）烷基等；R4是芳基或不饱和杂环基，每个基上可能有一个或两个亚基，如低烷基、羟基、氨基甲酰基、卤素、低烷氧基等；以及其盐，可用作药物。

  公开号：

  US20020143034A1

文献信息

• AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1140849A1

  公开（公告）日：2001-10-10
• [EN] AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS<br/>[FR] AMINO-ALCOOLS ET LEUR UTILISATION COMME AGONISTES BETA-3 ADRENERGIQUES
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2000040560A1

  公开（公告）日：2000-07-13

  A compound of formula (I) wherein X1 is bond or -OCH2-; X2 is -(CH2)n-, in which n is 1, 2 or 3; X3 is bond, -O-, -S-, -OCH2-, or -NH-; R1 is phenyl or pyridyl each of which may have one or two substituent(s) selected from the group consisting of hydroxy, halogen, etc.; R2 is hydrogen, (lower)alkoxycarbonyl, etc.; R3 is hydroxy(lower)alkyl; halo(lower)alkyl, etc.; R4 is aryl or unsaturated heterocyclic group, each of which may have one or two substituent(s) selected from the group consisting of lower alkyl, hydroxy, carbamoyl, halogen, lower alkoxy, etc.; and a salt thereof which is useful as a medicament.
• Aminoalcohol derivatives and their use as beta 3 adrenergic agonists
  申请人：Fujisawa Pharmaceutical Co. Ltd.

  公开号：US20020143034A1

  公开（公告）日：2002-10-03

  A compound of the formula (I): 1 wherein X 1 is bond or —OCH 2 —; X 2 is —(CH 2 ) n —, in which n is 1, 2 or 3; X 3 is bond, —O—, —S—, —OCH 2 —, or —NH—; R 1 is phenyl or pyridyl each of which may have one or two substituent(s) selected from the group consisting of hydroxy, halogen, etc.; R 2 is hydrogen, (lower)alkoxycarbonyl, etc.; R 3 is hydroxy(lower)alkyl; halo(lower)alkyl, etc.; R 4 is aryl or unsaturated heterocyclic group, each of which may have one or two substituent(s) selected from the group consisting of lower alkyl, hydroxy, carbamoyl, halogen, lower alkoxy, etc.; and a salt thereof which is useful as a medicament.

  该化合物的结构式如下：其中X1是化学键或—OCH2—；X2是—(CH2)n—，其中n为1、2或3；X3是化学键，—O—，—S—，—OCH2—或—NH—；R1是苯基或吡啶基，每个基上可能有一个或两个亚基，如羟基、卤素等；R2是氢、（低）烷氧羰基等；R3是羟基（低）烷基、卤代（低）烷基等；R4是芳基或不饱和杂环基，每个基上可能有一个或两个亚基，如低烷基、羟基、氨基甲酰基、卤素、低烷氧基等；以及其盐，可用作药物。