4-(6-methoxy-6-oxohexyloxy)benzoic acid | 1133000-98-2

• 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: 4-(6-methoxy-6-oxohexyloxy)benzoic acid
• 英文别名: Benzoic acid, 4-[(6-methoxy-6-oxohexyl)oxy]-；4-(6-methoxy-6-oxohexoxy)benzoic acid
• CAS: 1133000-98-2
• 化学式: C₁₄H₁₈O₅
• 分子量: 266.294
• InChiKey: OKAYSHCHIPFGLX-UHFFFAOYSA-N

物化性质

• 沸点：
  406.6±25.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(6-methoxy-6-oxohexyloxy)benzoic acid 在 N-甲基吗啉 、 肼 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Discovery of histone deacetylase 8 selective inhibitors

  摘要：

  We have developed an efficient method for synthesizing candidate histone deacetylase ( HDAC) inhibitors in 96-well plates, which are used directly in high-throughput screening. We selected building blocks having hydrazide, aldehyde and hydroxamic acid functionalities. The hydrazides were coupled with different aldehydes in DMSO. The resulting products have the previously identified 'cap/linker/biasing element' structure known to favor inhibition of HDACs. These compounds were assayed without further purification. HDAC8-selective inhibitors were discovered from this novel collection of compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.134
• 作为产物：
  描述：

  对羟基苯甲醛 在 sodium chlorite 、 sodium dihydrogenphosphate dihydrate 、 双氧水 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 24.0h， 生成 4-(6-methoxy-6-oxohexyloxy)benzoic acid
  参考文献：
  名称：

  Discovery of histone deacetylase 8 selective inhibitors

  摘要：

  We have developed an efficient method for synthesizing candidate histone deacetylase ( HDAC) inhibitors in 96-well plates, which are used directly in high-throughput screening. We selected building blocks having hydrazide, aldehyde and hydroxamic acid functionalities. The hydrazides were coupled with different aldehydes in DMSO. The resulting products have the previously identified 'cap/linker/biasing element' structure known to favor inhibition of HDACs. These compounds were assayed without further purification. HDAC8-selective inhibitors were discovered from this novel collection of compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.134

文献信息

• [EN] CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY<br/>[FR] INHIBITEURS DES KINASES DÉPENDANTES DES CYCLINES (CDK) CONTENANT UNE FRACTION DE LIAISON AU ZINC
  申请人：CURIS INC

  公开号：WO2009036016A1

  公开（公告）日：2009-03-19

  The present invention relates to CDK inhibitors and their use in the treatment of cell proliferative diseases such as cancer. The compounds of the invention may further act as HDAC inhibitors.

  本发明涉及CDK抑制剂及其在治疗癌症等细胞增殖性疾病中的应用。该发明的化合物还可能作为HDAC抑制剂。
• CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY
  申请人：Qian Changgeng

  公开号：US20090093507A1

  公开（公告）日：2009-04-09

  The present invention relates to CDK inhibitors and their use in the treatment of cell proliferative diseases such as cancer. The compounds of the invention may further act as HDAC inhibitors.

  本发明涉及CDK抑制剂及其在治疗细胞增殖性疾病如癌症中的应用。本发明的化合物可能进一步作为HDAC抑制剂。
• [EN] ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS<br/>[FR] COMPOSÉS CIBLANT DES RÉCEPTEURS HORMONAUX NUCLÉAIRES ANTICANCÉREUX
  申请人：NUVATION BIO INC

  公开号：WO2022204184A1

  公开（公告）日：2022-09-29

  The disclosure relates to anti-cancer compounds derived from nuclear steroid receptor binders, to products containing the same, as well as to methods of their use and preparation.

  该披露涉及从核类固醇受体结合物中衍生出的抗癌化合物，包括含有相同化合物的产品，以及它们的使用和制备方法。
• US8563741B2
  申请人：——

  公开号：US8563741B2

  公开（公告）日：2013-10-22