3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone
• 英文别名: 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline；(E)-3-[4-(3-aminophenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
• 化学式: C₂₁H₁₈F₆N₂O₂S
• 分子量: 476.443
• InChiKey: KLSZVPNVFKKIRD-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.9
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone 、 异氰酸甲酯 以 四氢呋喃 为溶剂， 以100%的产率得到1-methyl-3-[3-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-2,3-bis(trifluoromethyl)phenyl]sulfanylphenyl]urea
  参考文献：
  名称：

  [EN] ARYLPHENYLAMINO-, ARYLPHENYLAMIDE-, AND ARYLPHENYLETHER-SULFIDE DERIVATIVES
  [FR] DERIVES DE SULFURE D'ARYLPHENYLAMINE, D'ARYLPHENYLAMIDE, ET D'ARYLPHENYLETHER

  摘要：

  公开号：

  WO2005105770A3
• 作为产物：
  描述：

  trifluoro-methanesulfonic acid 4-(3-morpholin-4-yl-3-oxo-propenyl)-2,3-bis-trifluoromethyl-phenyl ester 、 3-氨基苯硫酚 在 lithium tert-butoxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以61%的产率得到3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone
  参考文献：
  名称：

  [EN] ARYLPHENYLAMINO-AND ARYLPHENYLETHER-SULFIDE DERIVATIVES, USEFUL FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISEASES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] DERIVES D'ARYLPHENYLAMINO- ET D'ARYLPHENYLETHER-SULFIDE

  摘要：

  公开号：

  WO2005105766A3

文献信息

• Arylphenylamino- and Arylphenylether-Sulfide Derivatives, Useful For the Treatment of Inflammatory and Immune Diseases, and Pharmaceutical Compositions Containing Them
  申请人：Guckian Kevin

  公开号：US20080234271A1

  公开（公告）日：2008-09-25

  The present invention relates in part to compounds of formulas (I) and (III): and pharmaceutically-acceptable salts and prodrugs thereof. These compounds can be useful for treating diseases such as inflammatory and immune diseases. The present invention also relates to pharmaceutical compositions comprising these compounds, and to methods of inhibiting inflammation or suppressing immune response in a subject.

  本发明部分涉及式(I)和式(III)化合物及其药学可接受的盐和前药。这些化合物可用于治疗炎症和免疫疾病等疾病。本发明还涉及包含这些化合物的制药组合物，以及抑制主体中的炎症或抑制免疫反应的方法。
• Arylphenylamino-,Arylphenylamide-, and Arylphenylether-Sulfide Derivatives
  申请人：Chin Donovan

  公开号：US20070259863A1

  公开（公告）日：2007-11-08

  The present invention relates in part to compounds of formulas I and III: and pharmaceutically-acceptable salts and prodrugs thereof. These compounds can be useful for treating diseases such as inflammatory and immune diseases. The present invention also relates to pharmaceutical compositions comprising these compounds, and to methods of inhibiting inflammation or suppressing immune response in a subject.

  本发明部分涉及式I和式III的化合物：以及其药学上可接受的盐和前药。这些化合物可用于治疗炎症和免疫性疾病。本发明还涉及包含这些化合物的制药组合物，以及抑制炎症或抑制受试者免疫反应的方法。
• [EN] ARYLPHENYLAMINO-AND ARYLPHENYLETHER-SULFIDE DERIVATIVES, USEFUL FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISEASES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES D'ARYLPHENYLAMINO- ET D'ARYLPHENYLETHER-SULFIDE
  申请人：ICOS CORP

  公开号：WO2005105766A3

  公开（公告）日：2006-01-26
• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.