N-(3-(trifluoromethyl)phenyl)pentanamide | 2994-81-2

• 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: N-(3-(trifluoromethyl)phenyl)pentanamide
• 英文别名: valeric acid-(3-trifluoromethyl-anilide)；Valeriansaeure-(3-trifluormethyl-anilid)；N-[3-(trifluoromethyl)phenyl]pentanamide
• CAS: 2994-81-2
• 化学式: C₁₂H₁₄F₃NO
• 分子量: 245.244
• InChiKey: CDTWRJRXAAERIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  戊酰胺 、 3-碘三氟甲苯 在 cobalt(II) oxalate dihydrate 、 caesium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 水 为溶剂， 反应 24.0h， 以60%的产率得到N-(3-(trifluoromethyl)phenyl)pentanamide
  参考文献：
  名称：

  钴催化脂肪酰胺和芳基碘在水中的温和高效交叉偶联

  摘要：

  使用简单且廉价的 Co(C2O4)·2H2O/N,N'-二甲基乙二胺 (DMEDA) 催化体系在水中证明了脂肪族酰胺和碘苯的 C-N 交叉偶联的便捷方案。分离出高产率的 N-芳基化产物（高达 85%），该方案已成功应用于抗癌药物氟他胺的合成。

  DOI：

  10.1055/s-0034-1380724

文献信息

• P70S6 Kinase Modulators And Method Of Use
  申请人：Cheng Wei

  公开号：US20070208020A1

  公开（公告）日：2007-09-06

  The invention provides compounds and methods for inhibition of kinases, more specifically p70S6 kinases. The invention provides compounds for modulating protein kinase enzymatic activity for modulating cellular activities such as proliferation, differentiation, programmed cell death, migration, chemoinvasion and metabolism. Compounds of the invention inhibit, regulate and/or modulate kinase receptor signal transduction pathways related to the changes in cellular activities as mentioned above, and the invention includes compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions.

  本发明提供了用于抑制激酶的化合物和方法，更具体地是p70S6激酶。本发明提供了用于调节蛋白激酶酶活性以调节细胞活动的化合物，例如增殖、分化、程序性细胞死亡、迁移、化学侵袭和代谢。本发明的化合物抑制、调节和/或调节与上述细胞活动相关的激酶受体信号转导途径，并且本发明包括含有这些化合物的组合物以及使用它们治疗激酶依赖性疾病和病况的方法。
• P70S6 Kinase Modulators and Method of Use
  申请人：Cheng Wei

  公开号：US20110021525A1

  公开（公告）日：2011-01-27

  The invention provides compounds and methods for inhibition of kinases, more specifically p70S6 kinases. The invention provides compounds for modulating protein kinase enzymatic activity for modulating cellular activities such as proliferation, differentiation, programmed cell death, migration, chemoinvasion and metabolism. Compounds of the invention inhibit, regulate and/or modulate kinase receptor signal transduction pathways related to the changes in cellular activities as mentioned above, and the invention includes compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions.

  本发明提供了抑制激酶（更具体地说是p70S6激酶）的化合物和方法。本发明提供了用于调节蛋白激酶酶活性以调节细胞活动（如增殖、分化、程序性细胞死亡、迁移、化学入侵和代谢）的化合物。本发明的化合物抑制、调节和/或调节与上述细胞活动相关的激酶受体信号转导途径，并包括含有这些化合物的组合物和使用它们治疗激酶依赖性疾病和病况的方法。
• US7816353B2
  申请人：——

  公开号：US7816353B2

  公开（公告）日：2010-10-19
• [EN] PHARMACEUTICAL COMPOSITION COMPRISING COMPOUND HAVING BLT INHIBITING ACTIVITY AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE<br/>[FR] COMPOSITION PHARMACEUTIQUE COMPRENANT UN COMPOSÉ AYANT UNE ACTIVITÉ INHIBITRICE DE BLT EN TANT QUE SUBSTANCE ACTIVE POUR LA PRÉVENTION OU LE TRAITEMENT DE LA BRONCHOPNEUMOPATHIE CHRONIQUE OBSTRUCTIVE<br/>[KO] BLT 저해 활성을 갖는 화합물을 유효성분으로 포함하는 만성 폐쇄성 폐질환 예방 또는 치료용 약학적 조성물
  申请人：UNIV DONGGUK IND ACAD COOP

  公开号：WO2018135918A1

  公开（公告）日：2018-07-26

  본 발명은 BLT2 (Leukotriene B4 receptor 2) 억제 활성을 나타내는 신규 화합물 및 이를 유효성분으로 포함하는 염증성 질환 예방 또는 치료용 약학적 조성물에 관한 것이다. 본 발명에서는, BTL2 억제 활성을 나타내는 신규 화합물을 규명하였으며, 상기 화합물의 우수한 암세포 사멸 증진 및 전이 억제 효과, 주화성 억제 효과, 및 항 천식 효과 등을 실험적으로 확인하였는바, 염증성 질환의 예방 또는 치료에 있어서, 보다 근본적으로 접근하여 타겟치료를 할 수 있을 것으로 기대된다.
• Mild and Efficient Cobalt-Catalyzed Cross-Coupling of Aliphatic Amides and Aryl Iodides in Water
  作者：Yong-Chua Teo、Bryan Tan

  DOI：10.1055/s-0034-1380724

  日期：——

  convenient protocol for the C–N cross-coupling of aliphatic amides and iodobenzene is demonstrated using a simple and inexpensive Co(C2O4)·2H2O/N,N′-dimethylethylenediamine (DMEDA) catalytic system in water. Good yields of N-arylated products were isolated (up to 85%) and the protocol has been successfully applied to the synthesis of the anticancer drug, flutamide.

  使用简单且廉价的 Co(C2O4)·2H2O/N,N'-二甲基乙二胺 (DMEDA) 催化体系在水中证明了脂肪族酰胺和碘苯的 C-N 交叉偶联的便捷方案。分离出高产率的 N-芳基化产物（高达 85%），该方案已成功应用于抗癌药物氟他胺的合成。