(+/-)-3-fluoro-2-hydroxy-2-methylpropanoic acid | 663-66-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: (+/-)-3-fluoro-2-hydroxy-2-methylpropanoic acid
• 英文别名: β-fluoro-α-hydroxy-isobutyric acid；β-Fluor-α-hydroxy-isobuttersaeure；3-Fluor-2-hydroxy-2-methyl-propionsaeure；2-hydroxy-2-monofluoromethylpropionic acid；2-hydroxy-2-fluoromethylpropionic acid；3-fluoro-2-hydroxy-2-methylpropanoic acid
• CAS: 663-66-1
• 化学式: C₄H₇FO₃
• 分子量: 122.096
• InChiKey: SVMCOPQGDDIXOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  277.0±20.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)
• 熔点：
  94.5-95.5 °C(Solv: benzene (71-43-2))

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-)-3-fluoro-2-hydroxy-2-methylpropanoic acid 在 氯化亚砜 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 3.0h， 生成 3-fluoro-2-hydroxy-2-methylpropanoyl chloride
  参考文献：
  名称：

  Prostate cancer PET bioprobes: Synthesis of [18F]-radiolabeled hydroxyflutamide derivatives

  摘要：

  Approximately 80-90% of prostate cancers are androgen dependent at initial diagnosis. The androgen receptor (AR) is present in most advanced prostate cancer specimens and is believed to have a critical role in its development. Today, treatment of prostate cancer is done by inhibition of AR using antiandrogens such as flutamide (pro-drug of hydroxyflutamide), nilutamide, and bicalutamide. However, there is currently no noninvasive imaging modalities to detect, guide, and monitor specific treatment of AR-positive prostate cancer. (R)-3-Bromo-N-(4-fluoro-3-(trifluoromethy, phenyl)-2-hydroxy-2-methyl-propanamide [F-18]-1 and N-(4fluoro-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide [F-18]-2, derivatives of hydroxyflutamide, were synthesized as a fluorine-containing imaging agent candidates. A three-step fluorine-18 radiosynthesis route was developed, and the compounds were successfully labeled with a 10 +/- 3% decay corrected radiochemical yield, 95% radiochemical purity, and a specific activity of 1500 +/- 200 Ci/mmol end of bombardment (n = 10). These labeled biprobes not only may enable for the future quantitative molecular imaging of AR-positive prostate cancer using positron emission tomography but may also allow for image-guided treatment of prostate cancer. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.06.033
• 作为产物：
  描述：

  (+/-)-3-fluoro-2-hydroxy-2-methylpropanenitrile 在 盐酸 作用下， 以 水 为溶剂， 反应 16.0h， 以0.08 g的产率得到(+/-)-3-fluoro-2-hydroxy-2-methylpropanoic acid
  参考文献：
  名称：

  [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS
  [FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C

  摘要：

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。

  公开号：

  WO2015005901A1

文献信息

• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Therapeutic amides
  申请人：Imperial Chemical Industries PLC

  公开号：US05272163A1

  公开（公告）日：1993-12-21

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the amides and pharmaceutical compositions containing them.

  酰胺具有以下化学式I：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和在体内可水解的酯，可用于治疗尿失禁。还提供了制备这些酰胺的方法和含有它们的药物组合物。
• Method of preparing therapeutic amides
  申请人：Imperial Chemical Industries, PLC

  公开号：US05684198A1

  公开（公告）日：1997-11-04

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the aides and pharmaceutical compositions containing them.

  具有以下式子I的酰胺：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和药学上可接受的体内可水解酯，可用于治疗尿失禁。还提供了制备这些酰胺的过程和含有它们的制药组合物。
• Voong; Chiang, Huaxue Xuebao/Acta Chimica Sinica, 1958, vol. 24, p. 155,157
  作者：Voong、Chiang

  DOI：——

  日期：——
• Jakubowitsch et al., Zhurnal Obshchei Khimii, 1958, vol. 28, p. 2288,2291;engl.Ausg.S.2325,2327
  作者：Jakubowitsch et al.

  DOI：——

  日期：——