Amyl oxamimidic acid

• 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: Amyl oxamimidic acid
• 英文别名: N'-pentyloxamide
• 化学式: C₇H₁₄N₂O₂
• 分子量: 158.2
• InChiKey: LZPJTTDTTQLFDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS
  申请人：Stein Philip D.

  公开号：US20090011994A1

  公开（公告）日：2009-01-08

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I wherein R 1 , R 2 , R 3 , R 8 , and R 9 are defined herein. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula I.

  本申请提供了根据公式I提供的化合物，包括所有立体异构体、溶剂合物、前药和药学上可接受的形式， 其中 R 1 ，R 2 ，R 3 ，R 8 和R 9 在此定义。 此外，本申请提供了含有至少一种根据公式I的化合物和可选至少一种额外治疗剂的药物组合物。最后，本申请提供了治疗患有MCHR-1调节性疾病或紊乱的患者的方法，例如肥胖症、糖尿病、抑郁症或焦虑症，通过给予根据公式I的化��物的治疗有效剂量。
• SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS
  申请人：Stein Philip D.

  公开号：US20110144060A1

  公开（公告）日：2011-06-16

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I wherein R 1 , R 2 , R 3 , R 8 , and R 9 are defined herein. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula I.

  本申请提供了一种化合物，包括所有立体异构体、溶剂化合物、前药和其制备的药学上可接受的形式，其化学式为I式，其中R1、R2、R3、R8和R9的定义如本文所述。此外，本申请还提供了含有至少一种I式化合物和可选的至少一种其他治疗剂的药物组合物。最后，本申请提供了通过给予I式化合物的治疗有效剂量来治疗患有MCHR-1调节性疾病或疾病的患者的方法，例如肥胖症、糖尿病、抑郁症或焦虑症。
• Acyloxyamide, Verfahren zu ihrer Herstellung sowie ihre Verwendung als Pflanzenwachstumsregulatoren
  申请人：BAYER AG

  公开号：EP0002455A1

  公开（公告）日：1979-06-27

  Die Anmeldung betrifft neue Acyloxamide der Formel in welcher R für Chlor, Alkyl mit 1 oder 2 Kohlenstoffatomen oder für Chloralkyl mit 1 oder 2 Kohlenstoffatomen und 1 bis 5 Chloratomen steht, mehrere Verfahren zur Herstellung dieser Stoffe und deren Verwendung zur Beeinflussung des Pflanzenwachstums.

  本申请涉及式如下的新型酰基酰胺 其中 R 代表氯、含 1 或 2 个碳原子的烷基或含 1 或 2 个碳原子和 1 至 5 个氯原子的氯烷基、 制备这些物质的多种工艺及其在影响植物生长方面的用途。
• Methods, systems, and computer program products for computational analysis and design of amphiphilic polymers
  申请人：——

  公开号：US20040107056A1

  公开（公告）日：2004-06-03

  Methods, systems, and computer program products for computational polymer processing including, without limitation, computational amphiphilic polymer design, conformational energy minimization, generation and refinement of torsional parameters for sub-units of potential polymers, generation of modified force field parameters, and prediction of conformational information for potential polymers. A target polymer backbone or portion thereof is identified. Small model compounds that have structural connectivities that are similar to structural connectivities of the target polymer backbone or portion thereof, are identified, whereby the combination of the small model compounds serve as a model of the target polymer or portion thereof. Gradient-corrected density functional theory (“DFT”) torsional potentials are calculated for the small model compounds, wherein energies are calculated at unconstrained and constrained geometries of the selected small model compounds. New torsional parameters are then obtained from the DFT torsional potentials. The new torsional parameters are combined with other terms to form a modified (or new) force field for the target polymer backbone or portion thereof. Molecular dynamics and configurational-biased Monte Carlo (“MD/MC”) simulations are performed using the modified force field, whereby results of the MD/MC simulations serve as predicted conformation properties of the target polymer backbone. The predicted conformation properties for the multiple target polymer backbones are then used to select one or more of the target polymer backbones as candidate amphiphilic polymer backbones for synthesis.

  用于计算聚合物处理的方法、系统和计算机程序产品，包括但不限于计算两亲聚合物设计、构象能最小化、潜在聚合物子单元扭转参数的生成和细化、修正力场参数的生成以及潜在聚合物构象信息的预测。确定目标聚合物骨架或其部分。确定具有与目标聚合物骨架或其部分结构连接性相似的结构连接性的小型模型化合物，从而将小型模型化合物组合作为目标聚合物或其部分的模型。计算小模型化合物的梯度校正密度泛函理论（"DFT"）扭转势能，其中计算了所选小模型化合物在无约束和有约束几何形状下的能量。然后从 DFT 扭转势中获得新的扭转参数。新的扭转参数与其他项相结合，形成目标聚合物骨架或其部分的修正（或新）力场。使用修改后的力场进行分子动力学和基于构型的蒙特卡罗（"MD/MC"）模拟，MD/MC 模拟的结果作为目标聚合物骨架的预测构象特性。多个目标聚合物骨架的预测构象特性可用于选择一个或多个目标聚合物骨架作为候选两亲性聚合物骨架进行合成。
• OXYGEN BARRIER
  申请人：EXXON CHEMICAL PATENTS INC.

  公开号：EP0515553B1

  公开（公告）日：1996-02-07