β-methyl-o-coumaric acid | 1129293-64-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: β-methyl-o-coumaric acid
• 英文别名: 2-Oxy-β-methyl-zimtsaeure；β-Methyl-o-cumarsaeure；3-(2-Hydroxy-phenyl)-trans-crotonsaeure；(E)-3-(2-hydroxyphenyl)but-2-enoic acid
• CAS: 1129293-64-6
• 化学式: C₁₀H₁₀O₃
• 分子量: 178.188
• InChiKey: UZIALTUIIGKAPZ-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-methyl-o-coumaric acid 在 盐酸 、 溶剂黄146 作用下， 生成 4-甲基香豆素
  参考文献：
  名称：

  Fries; Volk, Justus Liebigs Annalen der Chemie, 1911, vol. 379, p. 105

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基香豆素 在 氢氧化钾 作用下， 生成 β-methyl-o-coumaric acid
  参考文献：
  名称：

  Fries; Volk, Justus Liebigs Annalen der Chemie, 1911, vol. 379, p. 105

  摘要：

  DOI：

文献信息

• [EN] FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS<br/>[FR] COMPOSES ET COMPOSITIONS MODULANT LE RECEPTEUR FC
  申请人：ARTHRON LTD

  公开号：WO2004058747A1

  公开（公告）日：2004-07-15

  The present invention provides compounds capable of binding to an Fc receptor and modulating Fc receptor activity comprising a core lipophilic group in the form of an Aryl ring substituted with a group rich in p-electrons. The invention further provides for a method of treating an autoimmune disease involving Fc receptor activity using such compounds. A method for obtaining a compound which modulates Fc receptor activity is also provided, the method comprising: (a) providing or designing compounds having structural characteristics to fit in the groove of the FcϜRIIa structure; and (b) screening the compounds for modulating activity on the Fc receptor.

  本发明提供了能够结合到Fc受体并调节Fc受体活性的化合物，包括以芳基环形式的核心疏水基团，该芳基环被富含p-电子的基团取代。本发明还提供了一种治疗自身免疫疾病涉及Fc受体活性的方法，使用这种化合物。还提供了一种获取调节Fc受体活性的化合物的方法，该方法包括：(a)提供或设计具有结构特征以适应FcϜRIIa结构凹槽的化合物；和(b)筛选这些化合物以调节Fc受体活性。
• Bifunctional energy-reversible acyl-compositions
  申请人：——

  公开号：US20020187993A1

  公开（公告）日：2002-12-12

  Energy-reversible acyl conjugates, intermediates, and related compositions are disclosed. In preferred aspects, examples of such compositions include: 1

  本发明公开了可逆能量酰基结合物、中间体和相关组合物。在优选方面，这些组合物的示例包括：1
• Compositions comprising photo-labile perfume delivery systems
  申请人：The Procter & Gamble Company

  公开号：US20030125220A1

  公开（公告）日：2003-07-03

  The present invention relates to photo-labile pro-fragrances, as well as a fragrance raw material delivery system comprising: i) from about 0.001% to about 100% by weight, of a photo-labile pro-fragrance compound having the formula: 1 wherein OR is a unit derived from a fragrance raw material alcohol, HOR; R 1 is one or more electron donating groups; each R 2 is independently hydrogen, C 1 -C 12 alkyl, and mixtures thereof; X is selected from the group consisting of —OH, —NH 2 , —NHR 3 , and mixtures thereof; R 3 is hydrogen, C 1 -C 12 linear or branched alkyl, C 6 -C 10 aryl, and mixtures thereof; and ii) optionally from about 0.001% to about 50% by weight, of one or more fragrance raw materials.

  本发明涉及光敏感前香料，以及一种香料原料传递系统，包括：i）约0.001%至约100%重量的光敏感前香料化合物，其具有以下公式：1，其中OR是从香料原料醇HOR导出的单位；R1是一个或多个电子给体基团；每个R2独立地是氢、C1-C12烷基或其混合物；X选择自—OH、—NH2、—NHR3和其混合物的群；R3是氢、C1-C12线性或支链烷基、C6-C10芳基或其混合物；以及ii）可选地，约0.001%至约50%重量的一种或多种香料原料。
• Compositions comprising photo-labile perfume delivery
  申请人：Dykstra Richard Robert

  公开号：US20050014663A1

  公开（公告）日：2005-01-20

  The present invention relates to photo-labile pro-fragrances, as well as a fragrance raw material delivery system comprising: i) from about 0.001% to about 100% by weight, of a photo-labile pro-fragrance compound having the formula: wherein OR is a unit derived from a fragrance raw material alcohol, HOR; R 1 is one or more electron donating groups; each R 2 is independently hydrogen, C 1 -C 12 alkyl, and mixtures thereof; X is selected from the group consisting of —OH, —NH 2 , —NHR 3 , and mixtures thereof; R 3 is hydrogen, C 1 -C 12 linear or branched alkyl, C 6 -C 10 aryl, and mixtures thereof; and ii) optionally from about 0.001% to about 50% by weight, of one or more fragrance raw materials.

  本发明涉及光敏感的前香料，以及一种包括以下成分的香料原料传递系统：i）约占重量的0.001％至约100％的光敏感的前香料化合物，该化合物的化学式为：其中OR是来自香料原料醇HOR的单位；R1是一个或多个电子供体基团；每个R2独立地是氢、C1-C12烷基或其混合物；X选自羟基（—OH）、氨基（—NH2）、NHR3（其中R3为氢、C1-C12线性或支链烷基、C6-C10芳基或其混合物）的群；以及ii）可选的约占重量的0.001％至约50％的一个或多个香料原料。
• Fc receptor modulating compounds and compositions
  申请人：Hogarth Mark Philip

  公开号：US20060264484A1

  公开（公告）日：2006-11-23

  The present invention provides compounds capable of binding to an Fc receptor and modulating Fc receptor activity comprising a core lipophilic group in the form of an Aryl ring substituted with a group rich in p-electrons. The invention further provides for a method of treating an autoimmune disease involving Fc receptor activity using such compounds. A method for obtaining a compound which modulates Fc receptor activity is also provided, the method comprising: (a) providing or designing compounds having structural characteristics to fit in the groove of the FcγRIIa structure; and (b) screening the compounds for modulating activity on the Fc receptor.

  本发明提供了一种能够结合Fc受体并调节Fc受体活性的化合物，其中包括一个具有芳基环的核心亲脂性基团，该基团被取代为一个富含p电子的基团。本发明还提供了一种使用这些化合物治疗自身免疫性疾病的方法，该疾病涉及Fc受体活性。还提供了一种用于获得调节Fc受体活性的化合物的方法，该方法包括：(a)提供或设计具有适合于FcγRIIa结构凹槽的结构特征的化合物;和(b)筛选这些化合物对Fc受体的调节活性。