3,6-dihydroxy-4,5-dipropylphthalaldehyde | 73861-57-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6-dihydroxy-4,5-dipropylphthalaldehyde
• 英文别名: 3,6-Dihydroxy-4,5-dipropyl-1,2-benzenedicarboxaldehyde
• CAS: 73861-57-1
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: LSILKXADLWXMRZ-UHFFFAOYSA-N

物化性质

• 熔点：
  106.5-107.5 °C(Solv: methanol (67-56-1))
• 沸点：
  376.9±42.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-diallyl-1,4-dihydrobenzoquinone 在 palladium on activated charcoal chromium(VI) oxide 、 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 80.0~85.0 ℃ 、206.84 kPa 条件下， 反应 3.0h， 生成 3,6-dihydroxy-4,5-dipropylphthalaldehyde
  参考文献：
  名称：

  Synthesis and antineoplastic activity of hydroquinone dialdehydes

  摘要：

  A number of hydroquinone dialdehydes and structurally related compounds were synthesized and tested for antineoplastic efficacy against transplanted murine tumors. 3,6-Dihydroxy-4,5-dimethylphthalaldehyde,3,6-dihydroxy-4,5-dipropylphthalaldehyde, and 3,6-dihydroxy-4,5-dimethylphthalaldehyde hemialdal tetraacetate significantly prolonged the survival time of mice bearing either Sarcoma 180, Ehrlich carcinoma, or adenocarcinoma 755 ascites tumors. In addition, these agents were cytotoxic to Sarcoma 180 cells in culture at concentrations in the range of 25-30 microM.

  DOI：

  10.1021/jm00180a009

文献信息

• IRE-1alpha INHIBITORS
  申请人：MannKind Corporation

  公开号：US20140080832A1

  公开（公告）日：2014-03-20

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response and can be used as single agents or in combination therapies.

  直接抑制IRE-1α活性的化合物、前药及其药学上可接受的盐。这些化合物和前药可用于治疗与未折叠蛋白应答相关的疾病，并可作为单一药物或联合治疗的组分。
• IRE-1A Inhibitors
  申请人：MannKind Corporation

  公开号：EP2520561A1

  公开（公告）日：2012-11-07

  Methods of treating disorders associated with unfolded protein response and methods of inhibiting IRE-1α activity are provided.

  提供了治疗与未折叠蛋白反应有关的疾病的方法和抑制 IRE-1α 活性的方法。
• Compositions containing hydroxy aromatic aldehydes and their use in treatments
  申请人：——

  公开号：US20030157154A1

  公开（公告）日：2003-08-21

  Disclosed are pharmaceutical and cosmetic compositions containing hydroxy aromatic aldehyde compounds. The disclosed compositions are useful as topical therapeutics for treating inflammatory dermatologic conditions. The disclosed compositions are also useful in transdermal and other systemic dose forms for treating other inflammatory conditions in mammals.

  所公开的是含有羟基芳香醛化合物的药物和化妆品组合物。所公开的组合物可作为局部治疗剂用于治疗皮肤炎症。所公开的组合物还可以透皮或其他全身剂量形式用于治疗哺乳动物的其他炎症。
• NEWMAN E. M.; LIN AI JENG; SARTORELLI A. C., J. MED. CHEM., 1980, 23, NO 6, 627-631
  作者：NEWMAN E. M.、 LIN AI JENG、 SARTORELLI A. C.

  DOI：——

  日期：——
• PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES
  申请人：Cutanix Corporation

  公开号：EP1443915A1

  公开（公告）日：2004-08-11