2-((3-iodobenzyl)oxy)ethanol | 503069-23-6

• 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: 2-((3-iodobenzyl)oxy)ethanol
• 英文别名: 2-[(3-iodophenyl)methoxy]ethanol
• CAS: 503069-23-6
• 化学式: C₉H₁₁IO₂
• 分子量: 278.09
• InChiKey: ZWKXGCHCDKMZEO-UHFFFAOYSA-N

物化性质

• 沸点：
  338.0±27.0 °C(Predicted)
• 密度：
  1.688±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-((3-iodobenzyl)oxy)ethanol 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 21.0h， 生成 2-[(2S)-4-[7-(8-chloro-1-naphthyl)-2-[[(2S)-1-[2-[(3-iodophenyl)methoxy]ethyl]pyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
  参考文献：
  名称：

  [EN] CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS
  [FR] CONJUGUÉS COMPRENANT DES LIANTS COVALENTS POUR LE CIBLAGE DE PROTÉINES KRAS G12C INTRACELLULAIRES

  摘要：

  Provided herein are radiopharmaceutical compositions, conjugates and uses thereof. In one aspect, provided herein are covalently modified KRAS proteins comprising a radiolabeled compound or conjugate. In some embodiments, the radiolabeled compound described herein comprises a covalently bound radioisotope. In some embodiments, the radiolabeled conjugate comprises a targeting ligand and a metal chelator configured to bind a radionuclide. The radiolabeled compound or conjugate described herein can form a covalent bond with a cysteine residue (such as G12C) in the mutated KRAS protein. Further provided herein are methods of treating and diagnosing cancer by administering the described radiolabeled compounds, conjugates, and compositions to a subject, thereby forming the covalently modified KRAS G12C protein.

  公开号：

  WO2023014979A1
• 作为产物：
  描述：

  乙二醇 、 3-碘苄溴 在 四丁基碘化铵 、 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 以41 %的产率得到2-((3-iodobenzyl)oxy)ethanol
  参考文献：
  名称：

  [EN] CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS
  [FR] CONJUGUÉS COMPRENANT DES LIANTS COVALENTS POUR LE CIBLAGE DE PROTÉINES KRAS G12C INTRACELLULAIRES

  摘要：

  Provided herein are radiopharmaceutical compositions, conjugates and uses thereof. In one aspect, provided herein are covalently modified KRAS proteins comprising a radiolabeled compound or conjugate. In some embodiments, the radiolabeled compound described herein comprises a covalently bound radioisotope. In some embodiments, the radiolabeled conjugate comprises a targeting ligand and a metal chelator configured to bind a radionuclide. The radiolabeled compound or conjugate described herein can form a covalent bond with a cysteine residue (such as G12C) in the mutated KRAS protein. Further provided herein are methods of treating and diagnosing cancer by administering the described radiolabeled compounds, conjugates, and compositions to a subject, thereby forming the covalently modified KRAS G12C protein.

  公开号：

  WO2023014979A1

文献信息

• Trifunctionalization of Aryl Iodides with Two Distinct Nitrogen and Carbon Electrophiles by Palladium/Norbornene Catalysis
  作者：Jing Wang、Hui Wang、Zihan Wang、Linqiang Li、Cheng Qin、Xinjun Luan

  DOI：10.1002/cjoc.202100467

  日期：2021.10

  highly chemo- and regioselective vicinal trifunctionalization of aryl iodides by palladium/norbornene (Pd/NBE) catalysis. The key feature of this new method is the introduction of two distinct nitrogen and carbon electrophiles, with a large gap in reactivity, for ortho-unsubstituted aryl iodides via an intermolecular and intramolecular C―H functionalization, respectively. Eight types of ipso terminations

  在此，我们报告了通过钯/降冰片烯 (Pd/NBE) 催化对芳基碘化物进行高度化学和区域选择性的邻位三官能化。这种新方法的关键特征是引入了两个不同的氮和碳亲电子的，在反应性有很大的差距，对邻-未被取代的芳基碘经由分别的分子内和分子CA€•ħ官能化，。八种类型的本位终端可以与两个邻位-amination和邻烷基化，得到多种多取代的苯并杂环支架。硅系衬底可以通过以下方式产生多官能芳烃单步操作。值得注意的是，这些产品表现出具有大斯托克斯位移的全色可调强荧光发射，并且产品 7r 可以作为荧光探针来特异性靶向活细胞中的溶酶体。
• Hydroxylamines As Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds
  作者：Liangxin Fan、Jiamao Hao、Jingxun Yu、Xiaojun Ma、Jingjing Liu、Xinjun Luan

  DOI：10.1021/jacs.0c00403

  日期：2020.4.8

  for the construction of n-membered (n>3) N-heterocycles, rely upon two chemical operations by involving sequential nucleophilic and electrophilic C-N bond formations. Here, we report a highly efficient cascade of alkyne insertion/C-H activation/amination for the rapid preparation of a myriad of tricyclic indoles, in a single-step transformation, by using bifunctional secondary hydroxylamines. Noteworthy

  使用羟胺衍生物作为单一氮源构建 n 元 (n>3) N-杂环的常规方法依赖于两个化学操作，涉及顺序亲核和亲电 CN 键的形成。在这里，我们报告了一种高效的炔插入/CH 活化/胺化级联，通过使用双功能仲羟胺，在一步转化中快速制备无数的三环吲哚。值得注意的是，明智地选择适用的氨基试剂，使芳基碘化物能够预先氧化加成到初始 Pd(0) 物种并随后形成两个 CN 键，是该反应成功的关键。对照实验表明，五元钯环中间体在促进最终胺化环闭合方面起着至关重要的作用。
• [EN] PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES<br/>[FR] DERIVES DE PHENETHANOLAMINE DESTINES AU TRAITEMENT DE MALADIES RESPIRATOIRES
  申请人：GLAXO GROUP LTD

  公开号：WO2003024439A1

  公开（公告）日：2003-03-27

  The present invention relates to novel compounds of formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

  本发明涉及公式（I）的新化合物，以及制造它们的方法，包含它们的制药组合物，以及它们在治疗中的应用，特别是在预防和治疗呼吸系统疾病方面的应用。
• Phenethanolamine derivatives for treatment of respiratory diseases
  申请人：Box Charles Philip

  公开号：US20050075394A1

  公开（公告）日：2005-04-07

  The present invention relates to novel compounds of formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

  本发明涉及公式（I）的新化合物，其制造过程，含有它们的药物组合物以及它们在治疗中的应用，特别是在预防和治疗呼吸系统疾病方面的应用。
• Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases
  申请人：BOX Philip Charles

  公开号：US20090068273A1

  公开（公告）日：2009-03-12

  The invention provides inhalation devices comprising a compound which is 4-(1R)-2-[(6-2-[(2,6-dichlorobenzyl)oxy]ethoxy}hexyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol; or a salt or solvate thereof, inhalation devices comprising formulations and combinations of the compound or a salt or solvate thereof, and methods for the treatment or prophylaxis of a clinical condition in a mammal by employing the inhalation devices

  本发明提供了包含4-(1R)-2-[(6-2-[(2,6-二氯苯基)氧基]乙氧基}己基)氨基]-1-羟基乙基}-2-(羟甲基)苯酚化合物的吸入装置；或者该化合物的盐或溶剂的吸入装置；包含该化合物或其盐或溶剂的配方和组合的吸入装置；以及使用吸入装置治疗或预防哺乳动物中的临床状况的方法。