2-iodo-3-methyl(methoxymethyloxy)benzene | 1220796-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-iodo-3-methyl(methoxymethyloxy)benzene
• 英文别名: 2-Iodo-1-(methoxymethoxy)-3-methylbenzene
• CAS: 1220796-92-8
• 化学式: C₉H₁₁IO₂
• 分子量: 278.09
• InChiKey: KBOVMTBPOIELMT-UHFFFAOYSA-N

物化性质

• 沸点：
  301.9±37.0 °C(Predicted)
• 密度：
  1.592±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-iodo-3-methyl(methoxymethyloxy)benzene 、 (S)-1,2,3,5,6,8a-hexahydroindolizine-8-carbaldehyde 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of opioid receptor-binding affinity of elaeocarpenine and its analogs

  摘要：

  Both enantiomers of elaeocarpenine (1) and its analogs, 21, 22, 25, and 27, were synthesized from bicyclic aldehydes 8-10 via a flexible route previously established for total synthesis of grandisines, and their binding affinities for mu-, kappa- and delta-opioid receptor subtypes were evaluated. We found that (9R)-1 exhibited higher affinity than (9S)-1 for all the subtypes, but the enantiomers showed little subtype selectivity. Analogs 21 having a pyrrolizidine skeleton and 27 having a stemona-type skeleton in place of the indolizidine unit of (9S)-1 showed mu-selective and mu-, kappa-selective binding, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.062
• 作为产物：
  描述：

  2-碘-3-甲基苯酚 、 氯甲基甲基醚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-iodo-3-methyl(methoxymethyloxy)benzene
  参考文献：
  名称：

  Synthesis and evaluation of opioid receptor-binding affinity of elaeocarpenine and its analogs

  摘要：

  Both enantiomers of elaeocarpenine (1) and its analogs, 21, 22, 25, and 27, were synthesized from bicyclic aldehydes 8-10 via a flexible route previously established for total synthesis of grandisines, and their binding affinities for mu-, kappa- and delta-opioid receptor subtypes were evaluated. We found that (9R)-1 exhibited higher affinity than (9S)-1 for all the subtypes, but the enantiomers showed little subtype selectivity. Analogs 21 having a pyrrolizidine skeleton and 27 having a stemona-type skeleton in place of the indolizidine unit of (9S)-1 showed mu-selective and mu-, kappa-selective binding, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.062

文献信息

• NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE
  申请人：Calvet James P.

  公开号：US20110082098A1

  公开（公告）日：2011-04-07

  Novobiocin analogues are useful in methods of treating, inhibiting, and/or preventing cyst formation in autosomal dominant polycystic kidney disease (ADPKD) in a subject. The disclosure provides methods of treating ADPKD comprising administering a therapeutically effective amount of a coumarin-3-carboxamide novobiocin analogue. Accordingly, the method can include administering a novobiocin analogue in a therapeutically effective amount for reducing levels of mTOR pathway phosphoproteins P-mTOR, P-Akt and P-S6K, or combinations thereof. Further, the method can include administering a novobiocin analogue in a therapeutically effective amount for reducing levels of Hsp-90 client proteins CFTR, ErbB2, c-Raf and Cdk4, or combinations thereof.

  新比奴霉素类似物在治疗、抑制和/或预防自体显性多囊肾病（ADPKD）中的囊肿形成方法中是有用的。本公开提供了治疗ADPKD的方法，包括给予香豆素-3-羧酰胺新比奴霉素类似物的治疗有效量。因此，该方法可以包括给予新比奴霉素类似物的治疗有效量，以降低mTOR途径磷酸化蛋白P-mTOR、P-Akt和P-S6K的水平，或其组合。此外，该方法可以包括给予新比奴霉素类似物的治疗有效量，以降低Hsp-90客体蛋白CFTR、ErbB2、c-Raf和Cdk4的水平，或其组合。
• NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES
  申请人：Blagg Brian S. J.

  公开号：US20120252745A1

  公开（公告）日：2012-10-04

  The disclosure provides novobiocin analogues with noviose replacements which are useful as Hsp90 inhibitors in the treatment of cancer.

  本公开提供了具有替代noviose的诺维菌素类似物，其在癌症治疗中作为Hsp90抑制剂是有用的。
• US9120774B2
  申请人：——

  公开号：US9120774B2

  公开（公告）日：2015-09-01