4-methoxy-2-pentyloxy-benzoic acid | 95420-81-8

• 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: 4-methoxy-2-pentyloxy-benzoic acid
• 英文别名: 4-methoxy-2-pentoxybenzoic acid
• CAS: 95420-81-8
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: VFHKXRRSMFWYGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methoxy-2-pentyloxy-benzoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 5.17h， 生成 1-(4-methoxy-2-pentoxyphenyl)-3-[(1S)-1-phenylethyl]urea
  参考文献：
  名称：

  Discovery and Structural Modification of 1-Phenyl-3-(1-phenylethyl)urea Derivatives as Inhibitors of Complement

  摘要：

  A series of 1-phenyl-3-(1-phenylethyl)urea derivatives were identified as novel and potent complement inhibitors through structural modification of the original compound from high-throughput screening. Various analogues (7 and 13-15) were synthesized and identified as complement inhibitors, with the introduction of a five- or six-carbon chain (7c, 7d, 7k, 7I, and 7o) greatly improving their activity. Optimized compound 7I has an excellent inhibition activity with IC50 values as low as 13 nM. We demonstrated that the compound 7I inhibited C9 deposition through the classical, the lectin, and the alternative pathways but had no influence on C3 and C4 depositions.

  DOI：

  10.1021/ml300005w
• 作为产物：
  描述：

  4-Methoxy-2-pentyloxy-benzoic acid methyl ester 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 15.0h， 以88%的产率得到4-methoxy-2-pentyloxy-benzoic acid
  参考文献：
  名称：

  DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS

  摘要：

  这项发明涉及一种具有VDCC阻断活性的化合物，该化合物可用于治疗一系列人类疾病和病况，特别是认知或神经退行性疾病或病况。

  公开号：

  US20090069430A1

文献信息

• Structure-activity relationships of arylimidazopyridine cardiotonics: discovery and inotropic activity of 2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-c]pyridine
  作者：David W. Robertson、E. E. Beedle、Joseph H. Krushinski、G. Don Pollock、Harve Wilson、Virginia L. Wyss、J. Scott Hayes

  DOI：10.1021/jm00383a006

  日期：1985.6

  2-phenylimidazo[4,5-b]pyridines (e.g., sulmazole) or 8-phenylpurines. Furthermore, all imidazo[4,5-c]pyridine analogues we tested were orally active; in contrast, only one of the imidazo[4,5-b]pyridine derivatives, sulmazole, was significantly active. One of several highly active compounds in the [4,5-c] series was 50 (LY175326, 2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-c]pyridine hydrochloride)

  最近，已经发现几种在实验动物和人体内具有正性和血管扩张活性的非儿茶酚胺，非糖苷强心药。原型化合物包括氨力农，舒马唑和芬诺酮。我们研究了一系列含有稠合到2-苯基咪唑的杂环的分子中最佳肌力活性所需的结构要求，发现2-苯基咪唑并[4,5-c]吡啶的效力通常比类似的2强5-10倍-苯基咪唑并[4，5-b]吡啶（例如，舒马唑）或8-苯基嘌呤。此外，我们测试的所有咪唑并[4,5-c]吡啶类似物均具有口服活性。相反，只有咪唑并[4,5-b]吡啶衍生物之一舒马唑具有明显的活性。[4,5-c]系列中几种高活性化合物之一是50（LY175326，2- [2-甲氧基-4-（甲基亚磺酰基）苯基] -1H-咪唑并[4，5-c]吡啶盐酸盐）。介绍了该系列的结构活性关系，并将其与咪唑并[4,5-b]吡啶和嘌呤系列进行了比较。
• AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF
  申请人：Ogura Hironobu

  公开号：US20100190754A1

  公开（公告）日：2010-07-29

  An azolylmethylidenehydrazine derivative represented by the formula (I) wherein Ar is an aryl group optionally having substituent(s) or a heteroaryl group optionally having substituent(s), R 1 and R 2 are the same or different and each is an alkyl group, a cycloalkyl group, an aralkyl group optionally having substituent(s), an aryl group optionally having substituent(s), a heteroarylalkyl group optionally having substituent(s), or R 1 and R 2 are bonded to each other to form a nitrogen-containing heterocyclic group optionally having substituent(s), and X is CH or a nitrogen atom, or a pharmacologically acceptable salt thereof is useful as a medicament, particularly as an antifungal agent, or an anti-inflammatory agent or an antiallergic agent.

  一种以式(I)表示的氮杂环甲基亚唑啉衍生物，其中Ar是一个芳基基团，可选择地具有取代基，或者是一个杂芳基基团，可选择地具有取代基；R1和R2相同或不同，每个都是一个烷基基团、环烷基基团、可选择地具有取代基的芳基烷基基团、可选择地具有取代基的芳基基团、可选择地具有取代基的杂芳基烷基基团，或者R1和R2彼此连接形成一个可选择地具有取代基的含氮杂环基团；X是CH或氮原子；或其药学上可接受的盐，可用作药物，特别是作为抗真菌药物、抗炎药物或抗过敏药物。
• AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：EP2168951A1

  公开（公告）日：2010-03-31

  An azolylmethylidenehydrazine derivative represented by the formula (I) wherein Ar is an aryl group optionally having substituent(s), a heteroaryl group optionally having substituent(s) or a heteroaryl group optionally having substituent(s), R1 and R2 are the same or different and each is an alkyl group, a cycloalkyl group, an aralkyl group optionally having substituent(s), an aryl group optionally having substituent(s), a heteroarylalkyl group optionally having substituent(s), or R1 and R2 are bonded to each other to form a nitrogen-containing heterocyclic group optionally having substituent(s), and X is CH or a nitrogen atom, or a pharmacologically acceptable salt thereof is useful as a medicament, particularly as an antifungal agent, or an anti-inflammatory agent or an antiallergic agent.

  由式 (I) 代表的偶氮亚甲基肼衍生物 其中 Ar 是可选具有取代基的芳基、可选具有取代基的杂芳基或可选具有取代基的杂芳基、 R1 和 R2 相同或不同，且各自为烷基、环烷基、任选具有取代基的芳烷基、任选具有取代基的芳基、任选具有取代基的杂芳基，或 R1 和 R2 相互键合形成任选具有取代基的含氮杂环基，且 X 为 CH 或氮原子、 或其药理上可接受的盐可用作药物，特别是抗真菌剂、抗炎剂或抗过敏剂。
• ROBERTSON, D. W.;BEEDLE, E. E.;KRUSHINSKI, J. H.;DON, POLLOCK, G.;WILSON,+, J. MED. CHEM., 1985, 28, N 6, 717-727
  作者：ROBERTSON, D. W.、BEEDLE, E. E.、KRUSHINSKI, J. H.、DON, POLLOCK, G.、WILSON,+

  DOI：——

  日期：——
• US8022072B2
  申请人：——

  公开号：US8022072B2

  公开（公告）日：2011-09-20