allyl 4-hydroxymethylbenzoate | 142650-56-4

• 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: allyl 4-hydroxymethylbenzoate
• 英文别名: prop-2-enyl 4-(hydroxymethyl)benzoate
• CAS: 142650-56-4
• 化学式: C₁₁H₁₂O₃
• mdl: MFCD25958956
• 分子量: 192.214
• InChiKey: LLOJUHCPWCXSSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  328.1±30.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  allyl 4-hydroxymethylbenzoate 在 N-甲基咪唑 、 N,N'-二异丙基碳二亚胺 作用下， 生成 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxymethyl]benzoic acid
  参考文献：
  名称：

  Stable attachment of the HMB-linker to continuous cellulose membranes for parallel solid phase spot synthesis

  摘要：

  Peptides and other oligomeric molecules were prepared on continuous cellulose membranes using a stably attached p-hydroxymethyl-benzoic acid (HMB)(1) linker. After attachment of N-protected 1,2-epoxy-propylamine to the support via an ether bond, the HMB linker was coupled to this construct resulting in a orthogonal safety-catch linkage suitable for solid phase synthesis. As an application, several peptides, peptoids and carbohydrate-peptide conjugates were prepared and analyzed by HPLC and mass spectrometry. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(96)02508-7
• 作为产物：
  描述：

  allyl 4-formylbenzoate 生成 allyl 4-hydroxymethylbenzoate
  参考文献：
  名称：

  Di(aromatic) compounds and their use in human and veterinary medicine

  摘要：

  对应以下公式的二芳基化合物：##STR1## 其中：Ar代表##STR2## n=1或2或：##STR3## X代表二价基团，Z代表O、S或二价基团，R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.5代表氢原子或各种有机基团，以及当R.sub.1是羧酸功能时，公式（I）化合物的盐。用于人类和兽医学以及化妆品。

  公开号：

  US05387594A1

文献信息

• Heterocyclic amide compounds and pharmaceutical use of the same
  申请人：The Green Cross Corporation

  公开号：US05948785A1

  公开（公告）日：1999-09-07

  Heterocyclic amide compounds of the formula (I) ##STR1## wherein each symbol is as defined in the specification, pharmacologically acceptable salts thereof, pharmaceutical compositions thereof and pharmaceutical use thereof. The heterocyclic amide compounds and pharmacologically acceptable salts thereof of the present invention have superior inhibitory activity against chymase groups in mammals inclusive of human, and can be administered orally or parenterally. Therefore, they are useful as chymase inhibitors and can be effective for the prophylaxis and treatment of various diseases caused by chymase, such as those caused by angiotensin II.

  式(I)的杂环酰胺化合物##STR1##，其中每个符号如规范中定义的那样，其药理学上可接受的盐，其药物组合物和其药用。本发明的杂环酰胺化合物及其药理学上可接受的盐对哺乳动物包括人类的胰蛋白酶组具有优越的抑制活性，并可经口或经肠外途径给药。因此，它们可用作胰蛋白酶抑制剂，并可有效预防和治疗由胰蛋白酶引起的各种疾病，如由II型血管紧张素引起的疾病。
• Pharmaceutical uses and synthesis of benzobicyclooctanes
  申请人：Celltech R & D, Inc.

  公开号：US20030069305A1

  公开（公告）日：2003-04-10

  Benzobicyclooctane compounds, their use in inhibiting cellular events involving TNF-&agr; and IL-8, and in the treatment of inflammation events in general; a combinatorial library of diverse bicyclooctanes and process for their synthesis as a library and as individual compounds.

  苯并双环辛烷化合物，它们在抑制涉及TNF-α和IL-8的细胞事件以及在一般炎症事件治疗中的用途；多样双环辛烷的组合化合物库以及它们的合成过程，既可以作为库存，也可以作为单个化合物。
• Di (aromatic) compounds and their use in human and veterinary medicine
  申请人：Centre International de Recherches Dermatologiques Galderma (Cird

  公开号：US05668156A1

  公开（公告）日：1997-09-16

  Di(aromatic) compounds corresponding to the following formula: ##STR1## in which: Ar represents either ##STR2## n=1 or 2 or: ##STR3## X represents a divalent radical, Z represents O, S or a divalent radical, and R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 represent a hydrogen atom or various organic radicals, and the salts of the compounds of formula (I) when R.sub.1 is a carboxylic acid function. Use in human and veterinary medicine and in cosmetics.

  化合物的化学式为：##STR1## 其中：Ar代表##STR2## n=1或2或：##STR3## X代表二价基团，Z代表O，S或二价基团，R.sub.1，R.sub.2，R.sub.3，R.sub.4和R.sub.5代表氢原子或各种有机基团，当R.sub.1为羧酸功能时，化合物的盐。在人类和兽医学以及化妆品中使用。
• HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME
  申请人：THE GREEN CROSS CORPORATION

  公开号：EP0826671A1

  公开（公告）日：1998-03-04

  Heterocyclic amide compounds of the formula (I) wherein each symbol is as defined in the specification, pharmacologically acceptable salts thereof, pharmaceutical compositions thereof and pharmaceutical use thereof. The heterocyclic amide compounds and pharmacologically acceptable salts thereof of the present invention have superior inhibitory activity against chymase groups in mammals inclusive of human, and can be administered orally or parenterally. Therefore, they are useful as chymase inhibitors and can be effective for the prophylaxis and treatment of various diseases caused by chymase, such as those caused by angiotensin II.

  式 (I) 的杂环酰胺化合物 其中各符号如说明书中所定义，其药理上可接受的盐、其药物组合物和其药物用途。本发明的杂环酰胺化合物及其药理学上可接受的盐类对哺乳动物（包括人类）的糜蛋白酶基团具有优异的抑制活性，并且可以口服或肠外给药。因此，它们可作为糜蛋白酶抑制剂，有效预防和治疗由糜蛋白酶引起的各种疾病，如血管紧张素 II 引起的疾病。
• Design and Synthesis of a Novel and Potent Series of Inhibitors of Cytosolic Phospholipase A₂ Based on a 1,3-Disubstituted Propan-2-one Skeleton
  作者：Stephen Connolly、Colin Bennion、Sarah Botterell、Pamela J. Croshaw、Catherine Hallam、Kim Hardy、Paul Hartopp、Clive G. Jackson、Sarah J. King、Louise Lawrence、Antonio Mete、David Murray、David H. Robinson、Gillian M. Smith、Linda Stein、Iain Walters、Edward Wells、W. John Withnall

  DOI：10.1021/jm011050x

  日期：2002.3.1

  Using knowledge of the substrate specificity of cPLA(2) (phospliolipases A(2)), a novel series of inhibitors of this enzyme were designed based upon a three point model of inhibitor binding to the enzyme active site comprising a lipophilic anchor, an electrophilic serine "trap", and an acidic binding moiety. The resulting 1,3-diheteroatom-substituted propan-2-ones were evaluated as inhibitors of cPLA2 in both aggregated bilayer and soluble substrate assays. Systematic variation of the lipophilic, electrophilic, and acidic groups revealed a well-defined structure-activity relationship against the enzyme. Optimization of each group led to compound 22 (ARC70484XX), which contains a decyloxy lipophilic side chain, a 1,3-diaryloxypropan-2-one moiety as a unique serine trap, and a benzoic acid as the acidic binding group. AR-C70484XX was found to be among the most potent in vitro inhibitors of cPLA2, described to date being more than 20-fold more active against the isolated enzyme (IC50 = 0.03 muM) than the standard CPLA(2) inhibitor, arachidonyl trifluoromethyl ketone (AACOCF(3)), and also greater than 10-fold more active than AACOCF3 against the cellular production of arachidonic acid by HL60 cells (IC50 = 2.8 muM).