Kohlensaeure-<4-fluor-phenyl>-methyl-ester | 1847-98-9

• 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: Kohlensaeure-<4-fluor-phenyl>-methyl-ester
• 英文别名: Carbonic acid, p-fluorophenyl methyl ester；(4-fluorophenyl) methyl carbonate
• CAS: 1847-98-9
• 化学式: C₈H₇FO₃
• 分子量: 170.14
• InChiKey: AIFCAHCJHDKMPG-UHFFFAOYSA-N

物化性质

• 沸点：
  38-39 °C
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Kohlensaeure-<4-fluor-phenyl>-methyl-ester 在 硫酸 、 硝酸 作用下， 生成 4-fluoro-5-nitrophenyl methyl carbonate 、 4-fluoro-6-nitrophenyl methyl carbonate
  参考文献：
  名称：

  Development of a Scalable Synthesis of a Vascular Endothelial Growth Factor Receptor-2 Kinase Inhibitor: Efficient Construction of a 6-Etherified [1,2,4]Triazolo[1,5-a]pyridine-2-amine Core

  摘要：

  A practical and scalable synthesis of the vascular endothelial growth factor receptor-2 (VEGFR-2) kinase inhibitor 1 has been developed. The key features of the process development include facile preparation of the key raw material 3-amino-4-fluorophenol, chemoselective nucleophilic aromatic substitution of 5-chloro-2-nitropyridine with phenol, a safe one-pot synthesis of a substituted urea using an isothiocyanate generated in situ from inexpensive materials, and improvement of the yield of acylation in the end game. The optimized six-step synthesis afforded 1:H2O in 54% overall yield, twice as much as the yield of the original synthesis, without chromatographic purification. In addition, a robust recrystallization procedure to afford the desired crystal form of 1 was also developed.

  DOI：

  10.1021/op4002824

文献信息

• CCL5 inhibitors
  申请人：AFECTA PHARMACEUTICALS, INC.

  公开号：US10940132B2

  公开（公告）日：2021-03-09

  Compounds, pharmaceutically acceptable salts, esters, prodrugs, and pharmaceutical compositions thereof are disclosed that are useful for inhibition of the biological activity of CCL5 on mammalian cells, as well as methods of treatment for diseases involving the increased biological activity of CCL5.

  所公开的化合物、药学上可接受的盐、酯、原药及其药物组合物有助于抑制 CCL5 在哺乳动物细胞上的生物活性，以及治疗涉及 CCL5 生物活性增加的疾病的方法。
• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2049541A2

  公开（公告）日：2009-04-22
• CCL5 INHIBITORS
  申请人：AFECTA PHARMACEUTICALS, INC.

  公开号：US20200138766A1

  公开（公告）日：2020-05-07

  Compounds, pharmaceutically acceptable salts, esters, prodrugs, and pharmaceutical compositions thereof are disclosed that are useful for inhibition of the biological activity of CCL5 on mammalian cells, as well as methods of treatment for diseases involving the increased biological activity of CCL5.
• CCL5 Inhibitors
  申请人：AFECTA PHARMACEUTICALS, INC.

  公开号：US20210196665A1

  公开（公告）日：2021-07-01

  Compounds, pharmaceutically acceptable salts, esters, prodrugs, and pharmaceutical compositions thereof are disclosed that are useful for inhibition of the biological activity of CCL5 on mammalian cells, as well as methods of treatment for diseases involving the increased biological activity of CCL5.
• [EN] FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ HÉTÉROCYCLIQUE FUSIONNÉ ET SON PROCÉDÉ D'UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2008016192A2

  公开（公告）日：2008-02-07

  [EN] The present invention provides a fused heterocyclic derivative having a potent kinase inhibitory activity and use thereof. A compound represented by the formula (I): wherein each symbol is as defined in the specification, except a particular compound, or a salt thereof, and a pharmaceutical agent containing the compound or a prodrug thereof, which is a kinase (VEGFR, VEGFR2, PDGFR, Raf) inhibitor, an angiogenesis inhibitor, an agent for the prophylaxis or treatment of cancer, a cancer growth inhibitor or a cancer metastasis suppressor.
  [FR] L'invention concerne un dérivé hétérocyclique fusionné présentant une puissante activité d'inhibition de kinase et son procédé d'utilisation. L'invention concerne un composé de formule (I). Dans cette formule, chaque symbole est tel qu'il est défini dans la description, à l'exception d'un composé particulier. L'invention concerne un sel du dérivé susmentionné et un agent pharmaceutique contenant ce composé ou un promédicament de celui-ci qui est un inhibiteur de kinase (VEGFR, VEGFR2, PDGFR, Raf), un inhibiteur d'angiogenèse, un agent de prophylaxie ou de traitement du cancer, un inhibiteur de croissance ou un suppresseur de métastases cancéreuses.