(4-Prop-2-enylsulfanylphenyl) acetate | 1260222-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (4-Prop-2-enylsulfanylphenyl) acetate
• CAS: 1260222-27-2
• 化学式: C₁₁H₁₂O₂S
• 分子量: 208.281
• InChiKey: MUPWHMCNWSZSGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-Prop-2-enylsulfanylphenyl) acetate 在 咪唑 、 硫脲 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 216.0h， 生成 4-(thiiran-2-ylmethylsulfonyl)phenol
  参考文献：
  名称：

  Sulfonate-Containing Thiiranes as Selective Gelatinase Inhibitors

  摘要：

  Matrix metalloproteinases (MMPs) are important zinc-dependent endopeptidases. Two members of this family of enzymes called gelatinases (MMP-2 and MMP-9) have been implicated in a number of human diseases, including cancer, neurological and cardiovascular diseases, and inflammation to name a few. We describe in this report the preparation and evaluation of two structural types of thiirane inhibitors that show selectivity toward gelatinases. The biphenyl series targets both gelatinases, whereas the monophenyl analogues exhibit potent inhibition of only MMP-2. The latter structural type also exhibits improved water solubility and metabolic stability, both traits desirable for progress of these molecules forward in gelatinase-dependent animal models of disease.

  DOI：

  10.1021/ml100254e
• 作为产物：
  描述：

  4-烯丙基磺酰基苯酚 、 乙酸酐 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以77%的产率得到(4-Prop-2-enylsulfanylphenyl) acetate
  参考文献：
  名称：

  Sulfonate-Containing Thiiranes as Selective Gelatinase Inhibitors

  摘要：

  Matrix metalloproteinases (MMPs) are important zinc-dependent endopeptidases. Two members of this family of enzymes called gelatinases (MMP-2 and MMP-9) have been implicated in a number of human diseases, including cancer, neurological and cardiovascular diseases, and inflammation to name a few. We describe in this report the preparation and evaluation of two structural types of thiirane inhibitors that show selectivity toward gelatinases. The biphenyl series targets both gelatinases, whereas the monophenyl analogues exhibit potent inhibition of only MMP-2. The latter structural type also exhibits improved water solubility and metabolic stability, both traits desirable for progress of these molecules forward in gelatinase-dependent animal models of disease.

  DOI：

  10.1021/ml100254e

文献信息

• Substituted hydrazones as inhibitors of cyclooxygenase-2
  申请人：——

  公开号：US20030187035A1

  公开（公告）日：2003-10-02

  Compounds useful as inhibitors of cyclooxygenase-2 activity have the formulae I or Ia: 1 wherein: Q 1 , Q 2 , n, m, X, Y and R are as defined herein.

  具有下列式子I或Ia的化合物可用作环氧合酶-2活性抑制剂：1其中：Q1、Q2、n、m、X、Y和R的定义如下。
• Pyrazoline derivatives useful for the treatment of cancer
  申请人：Cuberes Altisen Rosa

  公开号：US20070066651A1

  公开（公告）日：2007-03-22

  Compounds of formula (I) wherein: X is selected from the group consisting of trihalomethyl, C 1 -C 6 alkyl, and a group of formula (II) wherein: R 3 and R 4 are independently selected from the group consisting of hydrogen; halogen; hydroxyl; nitro; C 1 -C 6 alkyl; C 1 -C 6 alkoxy; carboxy; C 1 -C 6 trihaloalkyl; and cyano; Z is selected from the group consisting of substituted and unsubstituted aryl; or a pharmaceutically acceptable salt thereof. The compounds are inhibitors of cyclooxygenase-2 activity. They are useful for treating cyclooxygenase-mediated disorders, including, for example, inflamation, neoplastic disorders and angiogenesis-mediated disorders.

  化合物的公式（I），其中： X被选自三卤甲基，C1-C6烷基和公式（II）中的一组，其中： R3和R4分别被选自氢，卤素，羟基，硝基，C1-C6烷基，C1-C6烷氧基，羧基，C1-C6三卤代烷基和氰基的一组； Z被选自取代和未取代芳基；或其药学上可接受的盐。这些化合物是环氧合酶-2活性的抑制剂。它们可用于治疗环氧合酶介导的疾病，包括例如炎症，肿瘤性疾病和血管生成介导的疾病。
• (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS
  申请人：Temple University of the CommonwealthSystem of Higher Education

  公开号：EP1191929A2

  公开（公告）日：2002-04-03
• EP1191929A4
  申请人：——

  公开号：EP1191929A4

  公开（公告）日：2005-02-16
• 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2
  申请人：Temple University of the CommonwealthSystem of Higher Education

  公开号：EP1191931A1

  公开（公告）日：2002-04-03