methyl 3-(4-nitrophenoxy)propionate | 90923-23-2

• 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: methyl 3-(4-nitrophenoxy)propionate
• 英文别名: β-(4-Nitrophenoxy)-propionsaeure-methylester；3-(4-nitro-phenoxy)-propionic acid methyl ester；methyl 3-(4-nitrophenoxy)propanoate
• CAS: 90923-23-2
• 化学式: C₁₀H₁₁NO₅
• mdl: MFCD11175876
• 分子量: 225.201
• InChiKey: VJTWUDUEBHDQPV-UHFFFAOYSA-N

物化性质

• 沸点：
  360.0±22.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-(4-nitrophenoxy)propionate 在 palladium on activated charcoal 盐酸 、 氢气 、 溶剂黄146 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙酸乙酯 、 苯 为溶剂， 反应 49.67h， 生成 3-(4-(bis(2-chloroethyl)amino)phenoxy)propanoic acid
  参考文献：
  名称：

  DNA-directed alkylating agents. 3. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the length of the linker chain

  摘要：

  Four series of acridine-linked aniline mustards have been prepared and evaluated for in vitro cytotoxicity, in vivo antitumor activity, and DNA cross-linking ability. The anilines were attached to the DNA-intercalating acridine chromophores by link groups (-O-, -CH2-, -S-, and -SO2-) of widely varying electronic properties, providing four series of widely differing mustard reactivity where the alkyl chain linking the acridine and mustard moieties was varied from two to five carbons. Relationships were sought between chain length and biological properties. Within each series, increasing the chain length did not alter the reactivity of the alkylating moiety but did appear to position it differently on the DNA, since cross-linking ability (measured by agarose gel assay) altered with chain length, being maximal with the C4 analogue. The in vivo antitumor activities of the compounds depended to some extent on the reactivity of the mustard, with the least reactive SO2 compounds being inactive. However, DNA-targeting did appear to allow the use of less reactive mustards, since the S-linked acridine mustards showed significant activity whereas the parent S-mustard did not. Within each active series, the most active compound was the C4 homologue, suggesting some relationship between activity and extent of DNA alkylation.

  DOI：

  10.1021/jm00173a016
• 作为产物：
  描述：

  对硝基苯酚 在 乙酰氯 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 22.0h， 生成 methyl 3-(4-nitrophenoxy)propionate
  参考文献：
  名称：

  苯胺基嘧啶并杂环类化合物及其制备方法、药物组合物和应用

  摘要：

  本发明公开了一种苯胺基嘧啶并杂环类化合物及其制备方法、药物组合物和应用。该化合物结构如式I，还包含其药学上可接受的盐，其可有效抑制WEE1和HDAC，抑制率值最优达到90％以上，还能够有效抑制肿瘤细胞增殖，抑制率达到50％以上；应用广泛，在分子水平和细胞水平上均可以发挥药效，最优可达到纳摩尔浓度水平；此外其制备方法易于结构拓展，通用性良好。#imgabs0#

  公开号：

  CN117327077A

文献信息

• PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS
  申请人：Weiner Warren S.

  公开号：US20080249158A1

  公开（公告）日：2008-10-09

  Novel pyrrole derivatives are disclosed as Aβ 42 -lowering agents for the treatment and prevention of neurodegenerative disorders characterized by the formation or accumulation of amyloid plaques comprising the Aβ 42 peptide.

  本发明揭示了新型吡咯衍生物，作为Aβ42降低剂，用于治疗和预防神经退行性疾病，其特征是形成或积累包含Aβ42肽的淀粉样斑块。
• Pyrrole Derivatives As Therapeutic Compounds
  申请人：Weiner Warren S.

  公开号：US20100216862A1

  公开（公告）日：2010-08-26

  Novel pyrrole derivatives are disclosed as Aβ 42 -lowering agents for the treatment and prevention of neurodegenerative disorders characterized by the formation or accumulation of amyloid plaques comprising the Aβ 42 peptide.

  本发明揭示了一种新型吡咯衍生物，作为降低Aβ42的药物，用于治疗和预防由Aβ42肽形成或积累的淀粉样斑块所特征的神经退行性疾病。
• Pyrrole derivatives as therapeutic compounds
  申请人：Myrexis, Inc.

  公开号：US08217073B2

  公开（公告）日：2012-07-10

  Novel pyrrole derivatives are disclosed as Aβ42-lowering agents for the treatment and prevention of neurodegenerative disorders characterized by the formation or accumulation of amyloid plaques comprising the Aβ42 peptide.

  本发明揭示了新型吡咯衍生物，作为Aβ42降低剂用于治疗和预防神经退行性疾病，其特征为形成或积累包含Aβ42肽的淀粉样斑块。
• WO2007/38684
  申请人：——

  公开号：——

  公开（公告）日：——
• VALU, KISIONE K.;GOURDIE, TRUDI A.;BORITZKI, THEODORE J.;GRAVATT, G. LANC+, J. MED. CHEM., 33,(1990) N1, C. 3014-3019
  作者：VALU, KISIONE K.、GOURDIE, TRUDI A.、BORITZKI, THEODORE J.、GRAVATT, G. LANC+

  DOI：——

  日期：——