8-formyl-1,6-benzodioxocane | 170708-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奥昔康唑
• 英文名称: 8-formyl-1,6-benzodioxocane
• 英文别名: 2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde；2,3,4,5-tetrahydrobenzo[b][1,4]dioxocine-8-carbaldehyde；2,3,4,5-tetrahydro-benzo[b][1,4]dioxocin-8-carbaldehyde
• CAS: 170708-98-2
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: CTAFCKTVMVPWDS-UHFFFAOYSA-N

物化性质

• 沸点：
  315.0±11.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-formyl-1,6-benzodioxocane 在 sodium hydroxide 、 碘 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 21.0h， 生成 IBS_STOCK1N-00166
  参考文献：
  名称：

  Synthetic analogs of natural flavolignans. IV. Synthesis of benzodioxocane analogs of silandrin and hydnocarpin

  摘要：

  DOI：

  10.1007/bf00630396
• 作为产物：
  描述：

  benzo-8-crown-2 在 N-甲基甲酰苯胺 作用下， 生成 8-formyl-1,6-benzodioxocane
  参考文献：
  名称：

  Lettre; Delitzsch, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1952, vol. 289, p. 220,224

  摘要：

  DOI：

文献信息

• Discovery of 6-substituted 4-anilinoquinazolines with dioxygenated rings as novel EGFR tyrosine kinase inhibitors
  作者：Dong-Dong Li、Fei Fang、Jing-Ran Li、Qian-Ru Du、Jian Sun、Hai-Bin Gong、Hai-Liang Zhu

  DOI：10.1016/j.bmcl.2012.07.079

  日期：2012.9

  It had been reported that some dioxygenated rings fusing with the quinazoline scaffold could lead to new EGFR inhibitors. Based on this, several kinds of oxygenated alkane quinazoline derivatives were synthetized and evaluated as EGFR inhibitors. Their antiproliferative activities were tested against four cancer cell lines: A431, MCF-7, A549, and B16-F10. Most derivatives could counteract EGF-induced

  据报道，一些与喹唑啉支架融合的双加氧环可能会导致新的EGFR抑制剂。基于此，合成了几种氧化的烷烃喹唑啉衍生物，并评价其为EGFR抑制剂。测试了它们对四种癌细胞系的抗增殖活性：A431，MCF-7，A549和B16-F10。大多数衍生物可以抵消EGF诱导的EGFR磷酸化，其效价与参考化合物厄洛替尼相当。稠合的双加氧环的大小对于生物活性至关重要，并且七原子环衍生物19在酶促测定和细胞测定中均显示出强大的体外抑制活性。
• Fluorocarbon and Hydrocarbon Benzodioxocycloalkane (C₈-C₁₀) End Groups: Effects on Mesomorphism
  作者：Wanwan Cao、Peilian Liu、Hongren Chen、Yaohang Zhu、Rihao Chen、Qifang Zhou、Zhuo Zeng

  DOI：10.1002/cjoc.201300286

  日期：2013.7

  A new class of benzodioxocycloalkane‐based (C8–C10) liquid crystals were prepared. The impact of ring (C8–C10) as end group was investigated. The 8–9 membered ring derivatives, 3a–3b, exhibited the nematic phases (N). The mesomorphic behaviors were weakened with increasing the size of the ring. For the ?uorinated medium ring (C8–C10) 3d–3f, it was found only the fluorinated ten membered ring 3f showed

  制备了新型的苯并二氧代环烷烃基（C 8 –C 10）液晶。研究了环（C 8 –C 10）作为端基的影响。8-9元环衍生物3a - 3b表现出向列相（N）。随着环尺寸的增加，同晶行为被削弱。对于氟化的中环（C 8 –C 10）3d – 3f，仅发现了氟化的十元环3f显示LC阶段的行为。用不同长度的烷基基团修饰环的大小以及烷基基团转变为多氟烷基基团显着影响了这些化合物的性能。
• Design, synthesis, and anti-inflammatory activity of caffeoyl salicylate analogs as NO production inhibitors
  作者：Pan Yu、Chao-Jie Xia、Dong-Dong Li、Jun-Jun Ni、Lin-Guo Zhao、Gang Ding、Zhen-Zhong Wang、Wei Xiao

  DOI：10.1016/j.fitote.2018.05.029

  日期：2018.9

  been reported to exhibit potent anti-inflammatory activity. However, the development of anti-inflammatory agent based on CGA has not been investigated. In this paper, a series of caffeoyl salicylate compounds derived from CGA were designed, synthesized, and evaluated by LPS-induced nitric oxide synthase inhibition and QRT-PCR technique. Most compounds showed modest activity to inhibit production of nitric

  据报道，绿原酸（CGA）表现出有效的抗炎活性。然而，尚未研究基于CGA的抗炎剂的开发。本文通过LPS诱导的一氧化氮合酶抑制和QRT-PCR技术设计，合成和评价了一系列由CGA衍生的咖啡酰水杨酸酯化合物。大多数化合物在脂多糖（LPS）诱导的RAW 264.7细胞中显示适度的抑制一氧化氮（NO）产生的活性。在这些化合物中，QRT-PCR和蛋白质印迹结果表明具有5元环或6元环的化合物6b，6c，6f，6g和D104对iPS2在LPS诱导的巨噬细胞中的表达产生了显着的抑制作用。此外，细胞毒性试验显示大多数衍生物在体外具有良好的安全性。
• Morpholine Carboxamide Prokineticin Receptor Antagonists
  申请人：Thompson Wayne J.

  公开号：US20090306076A1

  公开（公告）日：2009-12-10

  The present invention is directed to morpholine carboxamide compounds which are antagonists of prokineticin receptors, in particular antagonists of prokineticin 2 receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which prokineticin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which prokineticin receptors are involved.

  本发明涉及形态啉羧酰胺化合物，其为促动素受体拮抗剂，特别是促动素2受体拮抗剂，可用于治疗或预防神经和精神障碍和疾病，其中涉及促动素受体。本发明还涉及包含这些化合物的制药组合物以及在涉及促动素受体的这种疾病的预防或治疗中使用这些化合物和组合物的用途。
• [EN] SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS<br/>[FR] DÉRIVÉS DE SPIROCYCLOHEXANE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS ANTI-APOPTOTIQUES
  申请人：SERVIER LAB

  公开号：WO2022152705A1

  公开（公告）日：2022-07-21

  Compounds of Formula (I) wherein R1, R3, R11, R12, X, Y1, Y2, Y3, Y4and formula (II) are as defined in the description. Medicaments.

  公式（I）化合物，其中R1、R3、R11、R12、X、Y1、Y2、Y3、Y4和公式（II）如描述中所定义。药物。