(4-fluoro-3-nitro-phenyl)-phosphonic acid | 657-07-8

• 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-fluoro-3-nitro-phenyl)-phosphonic acid
• 英文别名: (4-Fluor-3-nitro-phenyl)-phosphonsaeure；(4-Fluoro-3-nitrophenyl)phosphonic acid
• CAS: 657-07-8
• 化学式: C₆H₅FNO₅P
• 分子量: 221.082
• InChiKey: AJNHXUXPUYZAHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (4-氟苯基)-磷酸 在 水 、 硝酸 作用下， 生成 (4-fluoro-3-nitro-phenyl)-phosphonic acid
  参考文献：
  名称：

  Jutisz et al., Bulletin de la Societe Chimique de France, 1959, p. 1551

  摘要：

  DOI：

文献信息

• Phospholidines that are Bcl Family Antagonists for Use in Clinical Management of Conditions Caused or Mediated By Senescent Cells and for Treating Cancer
  申请人：Unity Biotechnology

  公开号：US20190330250A1

  公开（公告）日：2019-10-31

  This disclosure provides compounds with Bcl inhibitory activity based on a new chemical scaffold. The phospholidine compounds can include a P-phenyl phospholidine moiety which is substituted with an N-aryl or N-heteroaryl group. The P-phenyl phospholidine moiety can be optionally substituted at phosphorus with thio (═S) instead of oxo (═O). A second heteroatom attached to phosphorus can be cyclically linked to the N-substituted nitrogen atom of the phospholidine that is attached to the phosphorus to provide, together with the phosphorus atom through which they are connected, a heterocyclic ring. By incorporating such a cyclic constraint between two phosphorus substituents of the core linking moiety a favorable binding conformation can be promoted in the compounds. Selected compounds promote apoptosis in senescent cells, and can be developed for treating senescent-related conditions, such as osteoarthritis, ophthalmic disease, pulmonary disease, and atherosclerosis. Selected compounds promote apoptosis in cancer cells, and can be developed as chemotherapeutic agents.

  本公开提供了具有Bcl抑制活性的化合物，其基于一种新的化学骨架。磷脂胺化合物可以包括一个P-苯基磷脂胺基团，该基团被N-芳基或N-杂环芳基取代。P-苯基磷脂胺基团可以选择性地在磷上用硫（═S）代替氧（═O）进行取代。连接到磷的第二个杂原子可以与连接到磷的磷脂胺的N-取代氮原子形成环状连接，从而与它们通过连接的磷原子一起提供一个杂环环。通过在核心连接基团的两个磷取代物之间引入这样的环状约束，可以促进化合物中的有利结合构象。选择的化合物促进老化细胞中的凋亡，并可用于治疗与老化相关的疾病，如骨关节炎、眼科疾病、肺部疾病和动脉粥样硬化。选择的化合物促进癌细胞中的凋亡，并可作为化疗药物进行开发。
• Phospholidines that are Bcl family antagonists for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer
  申请人：Unity Biotechnology, Inc.

  公开号：US10745429B2

  公开（公告）日：2020-08-18

  This disclosure provides compounds with Bcl inhibitory activity based on a new chemical scaffold, as shown in Formula (I). The phospholidine compounds can include a P-phenyl phospholidine moiety which is substituted with an N-aryl or N-heteroaryl group. The P-phenyl phospholidine moiety can be optionally substituted at phosphorus with thio (═S) instead of oxo (═O). A second heteroatom attached to phosphorus can be cyclically linked to the N-substituted nitrogen atom of the phospholidine that is attached to the phosphorus to provide, together with the phosphorus atom through which they are connected, a heterocyclic ring. By incorporating such a cyclic constraint between two phosphorus substituents of the core linking moiety a favorable binding conformation can be promoted in the compounds. Selected compounds promote apoptosis in senescent cells, and can be developed for treating senescent-related conditions, such as osteoarthritis, ophthalmic disease, pulmonary disease, and atherosclerosis. Selected compounds promote apoptosis in cancer cells, and can be developed as chemotherapeutic agents.

  本公开提供了基于新化学支架的具有 Bcl 抑制活性的化合物，如式 (I) 所示。 膦啶化合物可以包括一个被 N-芳基或 N-杂芳基取代的 P-苯基膦啶分子。P-苯基膦烷分子可以任选被硫代（═S）而不是氧代（═O）取代。连接到磷上的第二个杂原子可以与连接到磷上的磷苷的 N-取代的氮原子循环连接，从而与通过它们连接的磷原子一起形成一个杂环。通过在核心连接分子的两个磷取代基之间加入这种环状约束，可以促进化合物形成有利的结合构象。所选化合物能促进衰老细胞的凋亡，可开发用于治疗与衰老有关的疾病，如骨关节炎、眼科疾病、肺部疾病和动脉粥样硬化。精选化合物能促进癌细胞凋亡，可开发为化疗药物。
• PHOSPHOLIDINES THAT ARE BCL FAMILY ANTAGONISTS FOR USE IN CLINICAL MANAGEMENT OF CONDITIONS CAUSED OR MEDIATED BY SENESCENT CELLS AND FOR TREATING CANCER
  申请人：Unity Biotechnology, Inc.

  公开号：EP3788054B1

  公开（公告）日：2022-07-20
• Phospholidines that are Bcl Family Antagonists for Use in Clinical Management of Conditions Caused or Mediated by Senescent Cells and for Treating Cancer
  申请人：Unity Biotechnology, Inc.

  公开号：US20210070788A1

  公开（公告）日：2021-03-11

  This disclosure provides compounds with Bcl inhibitory activity based on a new chemical scaffold. The phospholidine compounds can include a P-phenyl phospholidine moiety which is substituted with an N-aryl or N-heteroaryl group. The P-phenyl phospholidine moiety can be optionally substituted at phosphorus with thio (═S) instead of oxo (═O). A second heteroatom attached to phosphorus can be cyclically linked to the N-substituted nitrogen atom of the phospholidine that is attached to the phosphorus to provide, together with the phosphorus atom through which they are connected, a heterocyclic ring. By incorporating such a cyclic constraint between two phosphorus substituents of the core linking moiety a favorable binding conformation can be promoted in the compounds. Selected compounds promote apoptosis in senescent cells, and can be developed for treating senescent-related conditions, such as osteoarthritis, ophthalmic disease, pulmonary disease, and atherosclerosis. Selected compounds promote apoptosis in cancer cells, and can be developed as chemotherapeutic agents.