4-(benzyloxy)-3,5-diisopropylbenzaldehyde | 108402-07-9

• 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-(benzyloxy)-3,5-diisopropylbenzaldehyde
• 英文别名: 4-Phenylmethoxy-3,5-di(propan-2-yl)benzaldehyde
• CAS: 108402-07-9
• 化学式: C₂₀H₂₄O₂
• 分子量: 296.409
• InChiKey: XIHVUWLPXYICHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(benzyloxy)-3,5-diisopropylbenzaldehyde 在 sodium methylate 作用下， 以 乙醇 为溶剂， 反应 21.75h， 生成 2,4-diamino-5-<4-(benzyloxy)-3,5-diisopropylbenzyl>pyrimidine
  参考文献：
  名称：

  2,4-Diamino-5-benzylpyrimidines and analogs as antibacterial agents. 9. Lipophilic trimethoprim analogs as antigonococcal agents

  摘要：

  Lipophilic analogues of trimethoprim (1) bearing 3,5-dialkyl-4-hydroxy substituents in the benzene ring are much more active in vitro against Neisseria gonorrhoeae than is 1. The 3,5-diisopropyl-4-hydroxy derivative (2) was selected as a candidate for clinical evaluation as an antigonococcal agent, and as part of the preliminary evaluation it was submitted to extended pharmacokinetic and metabolism studies in dogs. Although the compound was not extensively conjugated by metabolic enzymes, one of the methyl groups was metabolized to produce a 3-isopropyl-4-hydroxy-5-(alpha-carboxyethyl)benzyl derivative (43), which was rapidly excreted. Related analogues were likewise extensively metabolized.

  DOI：

  10.1021/jm00396a018
• 作为产物：
  描述：

  丙泊酚 在 potassium carbonate 、 溶剂黄146 作用下， 以 水 、 丙酮 为溶剂， 反应 24.0h， 生成 4-(benzyloxy)-3,5-diisopropylbenzaldehyde
  参考文献：
  名称：

  [EN] PHARMACOLOGICALLY ACTIVE COMPOUNDS
  [FR] COMPOSÉS PHARMACOLOGIQUEMENT ACTIFS

  摘要：

  本发明涉及如下所示的化合物的结构（I）：其中Q如本文所定义。式（I）中的化合物作为对士的宁敏感的α1-甘氨酸受体的选择性正变构调节剂。本发明还涉及将这些化合物用作治疗和/或预防涉及士的宁敏感的α1-甘氨酸受体活性的疾病或症状的治疗剂（例如，慢性疼痛等）。本发明还涉及制备这些化合物的方法以及包含它们的制剂。

  公开号：

  WO2015097475A1

文献信息

• A Cleavable Linker Based on the Levulinoyl Ester for Activity-Based Protein Profiling
  作者：Paul P. Geurink、Bogdan I. Florea、Nan Li、Martin D. Witte、Joeri Verasdonck、Chi-Lin Kuo、Gijs A. van der Marel、Herman S. Overkleeft

  DOI：10.1002/anie.201001767

  日期：2010.9.10

  Get linked: The title linker is stable under various biological conditions and can be cleaved chemoselectively with hydrazine (see scheme). Its use is demonstrated in the activity‐based enrichment and identification of proteasome active subunits from cell extracts.

  获得连接：标题连接子在各种生物学条件下均稳定，可以用肼化学选择性切割（请参阅方案）。在基于活动的富集和鉴定细胞提取物中蛋白酶体活性亚基中证明了其用途。
• Indolinone combinatorial libraries and related products and methods for the treatment of disease
  申请人：Tang Cho Peng

  公开号：US20050197382A1

  公开（公告）日：2005-09-08

  The present invention relates to organic molecules capable of modulating, regulating and/or inhibiting protein kinase signal transduction. Such compounds are useful for the treatment of diseases related to unregulated protein kinase signal transduction, including cell proliferative diseases such as cancer, atherosclerosis, arthritis and restenosis and metabolic diseases such as diabetes. The present invention features indolinone compounds that potently inhibit protein kinases and related products and methods. Inhibitors specific to the FLK protein kinase can be obtained by adding chemical substituents to the 3-[(indole-3-yl)methylene]-2-indolinone, in particular at the 1′ position of the indole ring. Indolinone compounds that specifically inhibit the FLK and platelet derived growth factor protein kinases can harbor a tetrahydroindole or cyclopentano-b-pyrrol moiety. Indolinone compounds that are modified with substituents, particularly at the 5 position of the oxindole ring, can effectively activate protein kinases. This invention also features novel hydrosoluble indolinone compounds that are tyrosine kinase inhibitors and related products and methods.

  本发明涉及有机分子，能够调节、调控和/或抑制蛋白激酶信号转导。这些化合物对于治疗与不受调节的蛋白激酶信号转导相关的疾病非常有用，包括细胞增殖性疾病，如癌症、动脉粥样硬化、关节炎、再狭窄和代谢性疾病，如糖尿病。本发明涉及具有强效抑制蛋白激酶和相关产品以及方法的吲哚酮化合物。特定于FLK蛋白激酶的抑制剂可以通过在吲哚环的1'位置添加化学取代基来获得3-[(吲哚-3-基)亚甲基]-2-吲哚酮。特异性抑制FLK和血小板衍生生长因子蛋白激酶的吲哚酮化合物可以具有四氢吲哚或环戊烯基-β-吡咯基。在氧吲哚环的5位取代基的修饰下，吲哚酮化合物可以有效激活蛋白激酶。本发明还涉及新型水溶性吲哚酮化合物，它们是酪氨酸激酶抑制剂和相关产品和方法。
• Pharmacologically active compounds
  申请人：The University of Liverpool

  公开号：US10442814B2

  公开（公告）日：2019-10-15

  The present invention relates to compounds of formula I shown below: wherein Q is as defined herein. The compounds of formula I act as selective positive allosteric modulators of strychnine-sensitive alpha 1-glycine receptors. The present invention further relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of diseases or conditions in which strychnine-sensitive alpha 1-glycine receptor activity is implicated (such as, for example, chronic pain. The present invention also relates to processes for the preparation of these compounds and to pharmaceutical compositions comprising them.

  本发明涉及下表所示的式 I 化合物： 其中 Q 如本文所定义。式 I 的化合物是马钱子碱敏感的α-1-甘氨酸受体的选择性正异位调节剂。本发明进一步涉及将这些化合物用作治疗剂，用于治疗和/或预防涉及马钱子碱敏感性α-1-甘氨酸受体活性的疾病或病症（如慢性疼痛等）。本发明还涉及这些化合物的制备工艺以及包含这些化合物的药物组合物。
• ROTH, B.;BACCANARI, D. P.;SIGEL, C. W.;HUBBELL, J. P.;EADDY, J.;KAO, J. C+, J. MED. CHEM., 31,(1988) N 1, 122-129
  作者：ROTH, B.、BACCANARI, D. P.、SIGEL, C. W.、HUBBELL, J. P.、EADDY, J.、KAO, J. C+

  DOI：——

  日期：——
• PHARMACOLOGICALLY ACTIVE COMPOUNDS
  申请人：The University of Liverpool

  公开号：EP3087055B1

  公开（公告）日：2018-08-29