2-[(4-Benzoylphenyl)sulfanylmethyl]-5-phenylpentanoic acid | 203247-10-3

• 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: 2-[(4-Benzoylphenyl)sulfanylmethyl]-5-phenylpentanoic acid
• CAS: 203247-10-3
• 化学式: C₂₅H₂₄O₃S
• 分子量: 404.53
• InChiKey: QVFQOFPCCNBIQM-UHFFFAOYSA-N

物化性质

• 沸点：
  612.7±55.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(4-Benzoylphenyl)sulfanylmethyl]-5-phenylpentanoic acid 在 盐酸 、 三乙基硅烷 、 Oxone 、 sodium tetrahydroborate 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 以 甲醇 、 乙醚 、 乙醇 、 二氯甲烷 为溶剂， 生成 5-Phenyl-2-(4-(phenylmethyl)phenylsulfonylmethyl)pentanoic Acid N-Hydroxy Amide
  参考文献：
  名称：

  Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors

  摘要：

  A series of novel matrix metalloproteinase inhibitors is described in which selectivity between MMP and 'sheddase' activity has been achieved and which demonstrate potent in vivo activity in models of arthritis and cancer. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00259-1
• 作为产物：
  描述：

  2-methylene-5-phenylpentanoic acid 在 氢溴酸 、 溶剂黄146 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(4-Benzoylphenyl)sulfanylmethyl]-5-phenylpentanoic acid
  参考文献：
  名称：

  Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors

  摘要：

  A series of novel matrix metalloproteinase inhibitors is described in which selectivity between MMP and 'sheddase' activity has been achieved and which demonstrate potent in vivo activity in models of arthritis and cancer. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00259-1

文献信息

• Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity
  申请人：——

  公开号：US20030207889A1

  公开（公告）日：2003-11-06

  Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity.

  具有MMP和TNF抑制活性的羟肟酸和羧酸衍生物。
• US6118001A
  申请人：——

  公开号：US6118001A

  公开（公告）日：2000-09-12
• US6566384B1
  申请人：——

  公开号：US6566384B1

  公开（公告）日：2003-05-20
• Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors
  作者：Andrew D Baxter、Ranjev Bhogal、John Bird、John F Keily、David T Manallack、John G Montana、David A Owen、William R Pitt、Robert J Watson、Ruth E Wills

  DOI：10.1016/s0960-894x(01)00259-1

  日期：2001.6

  A series of novel matrix metalloproteinase inhibitors is described in which selectivity between MMP and 'sheddase' activity has been achieved and which demonstrate potent in vivo activity in models of arthritis and cancer. (C) 2001 Elsevier Science Ltd. All rights reserved.