O,O-dibenzyl-O-(4-hydroxymethylphenyl) phosphate | 342808-49-5

• 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: O,O-dibenzyl-O-(4-hydroxymethylphenyl) phosphate
• 英文别名: dibenzyl (4-(hydroxymethyl)phenyl) phosphate；Dibenzyl 4-(hydroxymethyl)phenyl phosphate；dibenzyl [4-(hydroxymethyl)phenyl] phosphate
• CAS: 342808-49-5
• 化学式: C₂₁H₂₁O₅P
• 分子量: 384.369
• InChiKey: WWJDRUUJXGLRDC-UHFFFAOYSA-N

物化性质

• 沸点：
  524.7±50.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  O,O-dibenzyl-O-(4-hydroxymethylphenyl) phosphate 在 palladium on activated charcoal 2-甲基-2-丁烯 、 氢气 、 三乙胺 、 三氯氧磷 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 2.92h， 生成 N,N'-(2-chloroethyl)-O-[4-(phosphorobenzyl)] phosphordiamidate
  参考文献：
  名称：

  Misiura, Konrad; Szymanowicz, Daria; Wietrzyk, Joanna, Acta poloniae pharmaceutica, 2003, vol. 60, # 2, p. 109 - 112

  摘要：

  DOI：
• 作为产物：
  描述：

  焦磷酸四苄酯 在 sodium tetrahydroborate 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 O,O-dibenzyl-O-(4-hydroxymethylphenyl) phosphate
  参考文献：
  名称：

  PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS

  摘要：

  本公开提供了化合物IA、IB、IC、IIA、IIB和IIC的结构，或其在药学上可接受的盐，这些化合物是C5a受体的调节剂。还提供了包括治疗涉及C5a病理性激活的疾病或疾病的药物组合物和使用方法，以及非药物应用。

  公开号：

  US20190300526A1

文献信息

• Propagation of Enzyme‐Induced Surface Events inside Polymer Nanoassemblies for a Fast and Tunable Response
  作者：Jiaming Zhuang、Hatice Seçinti、Bo Zhao、S. Thayumanavan

  DOI：10.1002/anie.201803029

  日期：2018.6.11

  design strategy that allows for the propagation of surface enzymatic events inside a supramolecular assembly for accelerated molecular release. The approach addresses a key shortcoming encountered with many of the currently available enzyme‐induced disassembly strategies, which rely on the unimer–aggregate equilibria of amphiphilic assemblies. The enzymatic response of the host to predictably tune the

  我们报告了一种新的分子设计策略，该策略允许表面酶事件在超分子组装体内的传播，以加速分子的释放。该方法解决了许多目前可用的酶诱导的分解策略所遇到的关键缺点，这些策略依赖于两亲组装体的单体聚合平衡。宿主的酶促反应可预测地调节客体分子的释放动力学，可以通过与互补聚合物进行静电络合来控制底物的可及性来进行编程。响应于酶的加速客体释放显示是通过酶触发的超分子宿主分解和宿主重组的协同机制来完成的。
• Novel 1,4-benzodiazepine derivatives with antiproliferative properties on tumor cell lines
  作者：Jennifer Dourlat、Wang-Qing Liu、Nohad Gresh、Christiane Garbay

  DOI：10.1016/j.bmcl.2007.02.016

  日期：2007.5

  Novel 1,4-benzodiazepine compounds were synthesized and evaluated for their ability to inhibit the proliferation of tumor cells. Some compounds revealed activities in the micromolar range and were more efficient than reference compound Ro 5-4864. Preliminary SAR helped to identify critical motifs for antiproliferative activity and led to the discovery of a compound selective for a melanoma cell line, known for its resistance to chemotherapy. (c) 2007 Elsevier Ltd. All rights reserved.
• [EN] PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS<br/>[FR] PROMÉDICAMENTS D'ANTAGONISTES DE C5AR BICYCLIQUES FUSIONNÉS
  申请人：CHEMOCENTRYX INC

  公开号：WO2019195159A1

  公开（公告）日：2019-10-10

  The present disclosure provides, inter alia, Compounds of Formulae IA, IB, IC, IIA, IIB and IIC or pharmaceutically acceptable salts thereof that are modulators of the C5a receptor. Also provided are pharmaceutical compositions and methods of use including the treatment of diseases or disorders involving pathologic activation from C5a and non-pharmaceutical applications.
• PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS
  申请人：CHEMOCENTRYX, INC.

  公开号：US20190300526A1

  公开（公告）日：2019-10-03

  The present disclosure provides, inter alia, Compounds of Formulae IA, IB, IC, IIA, IIB and IIC or pharmaceutically acceptable salts thereof that are modulators of the C5a receptor. Also provided are pharmaceutical compositions and methods of use including the treatment of diseases or disorders involving pathologic activation from C5a and non-pharmaceutical applications.

  本公开提供了化合物IA、IB、IC、IIA、IIB和IIC的结构，或其在药学上可接受的盐，这些化合物是C5a受体的调节剂。还提供了包括治疗涉及C5a病理性激活的疾病或疾病的药物组合物和使用方法，以及非药物应用。
• Misiura, Konrad; Szymanowicz, Daria; Wietrzyk, Joanna, Acta poloniae pharmaceutica, 2003, vol. 60, # 2, p. 109 - 112
  作者：Misiura, Konrad、Szymanowicz, Daria、Wietrzyk, Joanna、Opolski, Adam

  DOI：——

  日期：——