2,3,6,7-四氢-1H,5H-吡啶并[3,2,1-ij]喹啉-9-基硼酸 | 397330-31-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,3,6,7-四氢-1H,5H-吡啶并[3,2,1-ij]喹啉-9-基硼酸
• 英文名称: 4-(4-Phenoxy-benzenesulfonylmethyl)-2,4-diphenyl-4H-oxazol-5-one
• 英文别名: 4-[(4-Phenoxyphenyl)sulfonylmethyl]-2,4-diphenyl-1,3-oxazol-5-one
• CAS: 397330-31-3
• 化学式: C₂₈H₂₁NO₅S
• 分子量: 483.544
• InChiKey: BWOLKHRVHXBJSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3,6,7-四氢-1H,5H-吡啶并[3,2,1-ij]喹啉-9-基硼酸 在 盐酸 、 O-(三甲基硅)羟胺 、 1-羟基苯并三唑 、 溶剂黄146 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 2-Amino-N-hydroxy-3-(4-phenoxy-benzenesulfonyl)-2-phenyl-propionamide
  参考文献：
  名称：

  α-Alkyl-α-amino-β-sulphone hydroxamates as potent MMP inhibitors that spare MMP-1

  摘要：

  A series of alpha -alkyl-alpha -amino-beta -sulphone hydroxamates was prepared and evaluated for potency versus MMP-2 and NIMP-13, and for selectivity versus MMP-1. Low nanomolar potency was obtained with selectivity versus MMP-1 ranging from >10 to >1000. Selected compounds were orally bioavailable. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00557-1
• 作为产物：
  描述：

  2,4-二苯基-5(4H)-噁唑酮 在 sodium hydride 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 生成 2,3,6,7-四氢-1H,5H-吡啶并[3,2,1-ij]喹啉-9-基硼酸
  参考文献：
  名称：

  α-Alkyl-α-amino-β-sulphone hydroxamates as potent MMP inhibitors that spare MMP-1

  摘要：

  A series of alpha -alkyl-alpha -amino-beta -sulphone hydroxamates was prepared and evaluated for potency versus MMP-2 and NIMP-13, and for selectivity versus MMP-1. Low nanomolar potency was obtained with selectivity versus MMP-1 ranging from >10 to >1000. Selected compounds were orally bioavailable. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00557-1

文献信息

• α-Alkyl-α-amino-β-sulphone hydroxamates as potent MMP inhibitors that spare MMP-1
  作者：Daniel P Becker、Gary DeCrescenzo、John Freskos、Daniel P Getman、Susan L Hockerman、Madeleine Li、Pramod Mehta、Grace E Munie、Craig Swearingen

  DOI：10.1016/s0960-894x(01)00557-1

  日期：2001.10

  A series of alpha -alkyl-alpha -amino-beta -sulphone hydroxamates was prepared and evaluated for potency versus MMP-2 and NIMP-13, and for selectivity versus MMP-1. Low nanomolar potency was obtained with selectivity versus MMP-1 ranging from >10 to >1000. Selected compounds were orally bioavailable. (C) 2001 Elsevier Science Ltd. All rights reserved.