5-(羟基甲基)-2-苯并呋喃-1(3H)-酮 | 65006-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 中文名称: 5-(羟基甲基)-2-苯并呋喃-1(3H)-酮
• 英文名称: 5-(hydroxymethyl)isobenzofuran-1(3H)-one
• 英文别名: 5-hydroxymethyl-phthalide；5-Hydroxymethyl-phthalid；5-(Hydroxymethyl)-1(3H)-isobenzofuranone；5-Hydroxymethylphthalide；5-(hydroxymethyl)-3H-2-benzofuran-1-one
• CAS: 65006-89-5
• 化学式: C₉H₈O₃
• 分子量: 164.161
• InChiKey: QRJCYBIILYHUGV-UHFFFAOYSA-N

物化性质

• 沸点：
  422.5±45.0 °C(Predicted)
• 密度：
  1.369±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  5-(羟基甲基)-2-苯并呋喃-1(3H)-酮 在 吡啶 、 N-氯代丁二酰亚胺 、 pyridinium chlorochromate on silica gel 、 盐酸羟胺 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 3-(1-oxo-1,3-dihydroisobenzofuran-5-yl)isoxazole-5-carbaldehyde
  参考文献：
  名称：

  Inhibition of the pore-forming protein perforin by a series of aryl-substituted isobenzofuran-1(3H)-ones

  摘要：

  An aryl-substituted isobenzofuran-1(3H)-one lead compound was identified from a high throughput screen designed to find inhibitors of the lymphocyte pore-forming protein perforin. A series of analogs were then designed and prepared, exploring structure-activity relationships through variation of 2-thioxoimidazolidin-4-one and furan subunits on an isobenzofuranone core. The ability of the resulting compounds to inhibit the lytic activity of both isolated perforin protein and perforin delivered in situ by intact KHYG-1 natural killer effector cells was determined. Several compounds showed excellent activity at concentrations that were non-toxic to the killer cells. This series represents a significant improvement on previous classes of compounds, being substantially more potent and largely retaining activity in the presence of serum. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.12.011
• 作为产物：
  描述：

  5-(bromomethyl)-1,3-dihydroisobenzofuran-1-one 在 水 、 calcium carbonate 作用下， 生成 5-(羟基甲基)-2-苯并呋喃-1(3H)-酮
  参考文献：
  名称：

  Perkin; Stone, Journal of the Chemical Society, 1925, vol. 127, p. 2292

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS, PREPARATIONS AND USES THEREOF<br/>[FR] COMPOSÉS, LEURS PRÉPARATIONS ET LEURS UTILISATIONS
  申请人：PETER MACCALLUM CANCER INST

  公开号：WO2011075784A1

  公开（公告）日：2011-06-30

  The present invention provides novel compounds of the Formula (I), pharmaceutical compositions comprising such compounds and methods for using such compounds as agents or drugs for inhibiting perforin activity and for treating a subject at risk of or susceptible to a disease or disorder, or having a disease or disorder associated with undesirable perforin activity.

  本发明提供了式（I）的新化合物，包括这些化合物的药物组合物以及使用这些化合物作为抑制穿孔素活性的药剂或药物，用于治疗患有与不良穿孔素活性相关的疾病或紊乱、或处于患有风险或易感染某种疾病或紊乱的受试者的方法。
• [EN] BRIDGED BICYCLIC KALLIKREIN INHIBITORS<br/>[FR] INHIBITEURS BICYCLIQUES PONTÉS DE LA KALLIKRÉINE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2016201052A1

  公开（公告）日：2016-12-15

  Provided herein are kallikrein modulating compounds, pharmaceutical compositions comprising the same, and uses thereof.

  本文提供了调节激肽酶的化合物、包含这些化合物的药物组合物，以及它们的用途。
• Water-soluble triazole fungicide
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040198790A1

  公开（公告）日：2004-10-07

  A triazole compound of the formula (I) or a pharmacologically salt thereof: 1 wherein X represents a group of formula X—OH which has antifungal activity, L represents an -(adjacently substituted C 6 -C 10 aryl)-CH 2 group and R represents a —P(═O)(OH) 2 group.

  一种三唑类化合物，其化学式为（I），或其药理学盐：1其中X代表具有抗真菌活性的化合物X—OH，L代表-(相邻取代的C6-C10芳基)-CH2基团，R代表—P(═O)(OH)2基团。
• LINEAR SELF-ELIMINATING OLIGOMERS
  申请人：Warnecke André

  公开号：US20120270937A1

  公开（公告）日：2012-10-25

  The present invention relates to a linear self-eliminating oligomer comprising one or more cleavable triggers, linker units, effector units and a carrier, and a pharmaceutical composition comprising said oligomer.

  本发明涉及一种线性自消除寡聚体，其包括一个或多个可切割的触发器、连接单元、效应单元和载体，以及包括该寡聚体的药物组合物。
• COMPOUNDS, PREPARATION AND USES THEREOF
  申请人：Spicer Julie Ann

  公开号：US20130065897A1

  公开（公告）日：2013-03-14

  The present invention provides novel compounds of the Formula I, pharmaceutical compositions comprising such compounds and methods for using such compounds as agents or drugs for inhibiting perforin activity and for treating a subject at risk of or susceptible to a disease or disorder, or having a disease or disorder associated with undesirable perforin activity.

  本发明提供了公式I的新化合物，包括这些化合物的制药组合物以及使用这些化合物作为抑制穿孔素活性的药剂或药物的方法，以及用于治疗处于风险或易感疾病或紊乱，或具有与不良穿孔素活性相关的疾病或紊乱的受试者。