tert-Butyl 4,4,4-trifluorobutanoate | 1401067-19-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: tert-Butyl 4,4,4-trifluorobutanoate
• CAS: 1401067-19-3
• 化学式: C₈H₁₃F₃O₂
• 分子量: 198.185
• InChiKey: AHLXSJXVIGIIOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-Butyl 4,4,4-trifluorobutanoate 、 (S)-4-异丙基-3-(5,5,5-三氟戊酰基)恶唑烷-2-酮 在 lithium chloride 、 lithium diisopropyl amide 、 copper(II) 2-ethylhexanoate 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 1.16h， 生成 、
  参考文献：
  名称：

  合成 2,3-二取代琥珀酸酯中对映和非对映控制的实用方法：泛缺口抑制剂 BMS-906024 的合成

  摘要：

  氧化分子间烯醇杂偶联反应用于合成抗 2,3-二取代琥珀酸单和差异保护的二酯。讨论了获取所有非对映异构体的战术方法。该方法用于合成一种有效的抗癌剂 BMS-906024。

  DOI：

  10.1055/s-0035-1561636
• 作为产物：
  描述：

  、 4,4,4-三氟丁酸 、 tert-butyl 5,5,5-trifluoropentanoate 生成 tert-Butyl 4,4,4-trifluorobutanoate
  参考文献：
  名称：

  Bisfluoroalkyl-1,4-benzodiazepinone compounds

  摘要：

  本发明涉及式（I）化合物或其前药；其中：R1为—CH2CF3或—CH2CH2CF3；R2为—CH2CF3，—CH2CH2CF3或—CH2CH2CH2CF3；R3为H或—CH3；每个Ra独立地为F、Cl、—CN、—OCH3和/或—NHCH2CH2OCH3；且z为零、1或2。本发明还涉及使用这些化合物抑制Notch受体的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病进展方面是有用的，例如癌症。

  公开号：

  US08822454B2

文献信息

• BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：GAVAI ASHVINIKUMAR V.

  公开号：US20120245151A1

  公开（公告）日：2012-09-27

  Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R 1 is —CH 2 CF 3 or —CH 2 CH 2 CF 3 ; R 2 is —CH 2 CF 3 , —CH 2 CH 2 CF 3 , or —CH 2 CH 2 CH 2 CF 3 ; R 3 is H or —CH 3 ; each R a is independently F, Cl, —CN, —OCH 3 , and/or —NHCH 2 CH 2 OCH 3 ; and z is zero, 1, or 2. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

  揭示了Formula (I)的化合物或其前药；其中：R1为—CH2CF3或—CH2CH2CF3；R2为—CH2CF3，—CH2CH2CF3，或—CH2CH2CH2CF3；R3为H或—CH3；每个Rai独立地为F，Cl，—CN，—OCH3，和/或—NHCH2CH2OCH3；z为零，1或2。还揭示了使用这些化合物来抑制Notch受体的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或障碍方面是有用的，比如癌症。
• [EN] BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS<br/>[FR] COMPOSÉS BIS(FLUOROALKYL)-1,4-BENZODIAZÉPINONE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012129353A1

  公开（公告）日：2012-09-27

  Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R1 is CH2CF3 or CH2CH2CF3; R2 is CH2CF3, CH2CH2CF3, or CH2CH2CH2CF3; R3 is H or CH3; each Ra is independently F, Cl, -CN, -OCH3, and/or NHCH2CH2OCH3; and z is zero, 1, or 2. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

  本文披露了式（I）的化合物或其前药，其中：R1为CH2CF3或CH2CH2CF3；R2为CH2CF3，CH2CH2CF3或CH2CH2CH2CF3；R3为H或CH3；每个Ra独立地为F，Cl，-CN，-OCH3和/或NHCH2CH2OCH3；z为零，1或2。还披露了使用这些化合物抑制Notch受体的方法和包含这些化合物的药物组合物。这些化合物在多种治疗领域中用于治疗、预防或减缓疾病或障碍的进展，例如癌症。
• RILUZOLE PRODRUGS AND THEIR USE
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US20180036290A1

  公开（公告）日：2018-02-08

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的制药组合物包括替代利鲁唑前药，通过释放利鲁唑治疗包括黑色素瘤、乳腺癌、脑癌和前列腺癌等癌症。利鲁唑的前药具有增强的肝代谢稳定性，并通过口服途径输送到全身循环中，然后通过酶促或一般的生物物理释放过程在血浆中裂解释放利鲁唑。
• Bisfluoroalkyl-1,4-benzodiazepinone compounds
  申请人：Bristol-Myers Squibb Company

  公开号：US08822454B2

  公开（公告）日：2014-09-02

  Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R1 is —CH2CF3 or —CH2CH2CF3; R2 is —CH2CF3, —CH2CH2CF3, or —CH2CH2CH2CF3; R3 is H or —CH3; each Ra is independently F, Cl, —CN, —OCH3, and/or —NHCH2CH2OCH3; and z is zero, 1, or 2. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

  本发明涉及式（I）化合物或其前药；其中：R1为—CH2CF3或—CH2CH2CF3；R2为—CH2CF3，—CH2CH2CF3或—CH2CH2CH2CF3；R3为H或—CH3；每个Ra独立地为F、Cl、—CN、—OCH3和/或—NHCH2CH2OCH3；且z为零、1或2。本发明还涉及使用这些化合物抑制Notch受体的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病进展方面是有用的，例如癌症。
• PRODRUGS RILUZOLE AND THEIR METHOD OF USE
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US20180037557A1

  公开（公告）日：2018-02-08

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.