(2E)-3-(4-Chlorophenyl)-N-[(1S)-2-oxo-2-{[2-oxo-2-(4-{[6-(trifluoromethyl)-4-pyrimidinyl]oxy}-1-piperidinyl)ethyl]amino}-1-(2-pyridylmethyl)ethyl]-2-propenamide | 442198-67-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2E)-3-(4-Chlorophenyl)-N-[(1S)-2-oxo-2-{[2-oxo-2-(4-{[6-(trifluoromethyl)-4-pyrimidinyl]oxy}-1-piperidinyl)ethyl]amino}-1-(2-pyridylmethyl)ethyl]-2-propenamide
• 英文别名: 2-Pyridinepropanamide, alpha-(((2E)-3-(4-chlorophenyl)-1-oxo-2-propen-1-yl)amino)-N-(2-oxo-2-(4-((6-(trifluoromethyl)-4-pyrimidinyl)oxy)-1-piperidinyl)ethyl)-, (alphaS)-；(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidin-1-yl]ethyl]-3-pyridin-2-ylpropanamide
• CAS: 442198-67-6
• 化学式: C₂₉H₂₈ClF₃N₆O₄
• 分子量: 617.027
• InChiKey: MVJHAYBYNRTWJF-CJHOVAGGSA-N

物化性质

• 沸点：
  877.6±65.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  [[(2S)-2-[[(2E)-3-(4-chlorophenyl)-2-propenoyl]amino]-3-(pyridin-2-yl)propanoyl]amino]acetic acid 、 tert-butyl 4-{[6-(trifluoromethyl)-4-pyrimidinyl]oxy}-1-piperidinecarboxylate 生成 (2E)-3-(4-Chlorophenyl)-N-[(1S)-2-oxo-2-{[2-oxo-2-(4-{[6-(trifluoromethyl)-4-pyrimidinyl]oxy}-1-piperidinyl)ethyl]amino}-1-(2-pyridylmethyl)ethyl]-2-propenamide
  参考文献：
  名称：

  Peptide compounds

  摘要：

  本发明涉及一种化合物，其化学式为（I），其中R1为被卤素取代的苯并呋喃基或被卤素取代的苯乙烯基；R2为取代羟基、取代巯基或取代磺酰基；X为或其药用可接受盐。本发明的化合物（1）及其药用可接受盐对一氧化氮（NO）的产生具有强烈的抑制活性，并可用于预防和/或治疗人类和动物体内的NO介导的疾病。

  公开号：

  US20040097425A1

文献信息

• FAST-ELUTING THREE-DIMENSIONAL MOLDING, FILAMENT FOR FAST-ELUTING THREE-DIMENSIONAL MOLDING, AND MATERIAL FOR FAST-ELUTING THREE-DIMENSIONAL MOLDING
  申请人：Astellas Pharma Inc.

  公开号：EP3441065A1

  公开（公告）日：2019-02-13

  Provided is a fast-eluting three-dimensionally molded object, which is formed by fused deposition modeling type three-dimensional molding and quickly elutes an active component. The fast-eluting three-dimensionally molded object is formed by the fused deposition modeling type three-dimensional molding and includes an active component, a water-soluble thermoplastic polymer, a water-soluble sugar and/or a water-soluble sugar alcohol, and a plasticizer component. The fast-eluting three-dimensionally molded object has an elution rate of the active component of 80% or higher within 85 minutes by a dissolution test method in the Japanese Pharmacopoeia, Sixteenth Edition.

  本发明提供了一种快速洗脱三维模塑物体，该物体由熔融沉积建模型三维模塑成型，可快速洗脱活性成分。该快速洗脱三维模塑物体由熔融沉积模型三维模塑成型，包括活性成分、水溶性热塑性聚合物、水溶性糖和/或水溶性糖醇以及增塑剂成分。根据《日本药典》第十六版中的溶出试验方法，该快速洗脱三维模塑物在 85 分钟内的活性成分洗脱率达到 80% 或以上。
• Peptides having inhibiting activity to nitric oxyde production
  申请人：Astellas Pharma Inc.

  公开号：EP1347990B1

  公开（公告）日：2007-10-10
• FINE PARTICLES OF POORLY WATER-SOLUBLE DRUG HAVING ENTERIC MATERIAL ADSORBED ON PARTICLE SURFACE
  申请人：Yamaguchi Hisami

  公开号：US20080213383A1

  公开（公告）日：2008-09-04

  The present invention relates to fine particles of a poorly water-soluble drug wherein a predetermined enteric material is adsorbed as the dispersant on the surface of a poorly water-soluble drug, as well as a method for producing the same fine particles. It is possible to efficiently and safely produce in a short amount of time fine particles with which absorption of a poorly water-soluble drug that is poorly absorbed in humans, and the like can be improved, and a pharmaceutical preparation with excellent dispersion stability can be provided, by using the fine particles of the present invention having an improved dissolution profile.
• FAST-ELUTING THREE-DIMENSIONALLY MOLDED OBJECT, FILAMENT FOR FAST-ELUTING THREE-DIMENSIONALLY MOLDED OBJECT, AND MATERIAL FOR FAST-ELUTING THREE-DIMENSIONALLY MOLDED OBJECT
  申请人：ASTELLAS PHARMA INC.

  公开号：US20190217531A1

  公开（公告）日：2019-07-18

  Provided is a fast-eluting three-dimensionally molded object, which is formed by fused deposition modeling type three-dimensional molding and quickly elutes an active component. The fast-eluting three-dimensionally molded object is formed by the fused deposition modeling type three-dimensional molding and includes an active component, a water-soluble thermoplastic polymer, a water-soluble sugar and/or a water-soluble sugar alcohol, and a plasticizer component. The fast-eluting three-dimensionally molded object has an elution rate of the active component of 80% or higher within 85 minutes by a dissolution test method in the Japanese Pharmacopoeia, Sixteenth Edition.
• US7129243B2
  申请人：——

  公开号：US7129243B2

  公开（公告）日：2006-10-31