(E)-2-Methyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one

• 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: (E)-2-Methyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
• 英文别名: (4E)-2-methyl-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
• 化学式: C₁₀H₈N₂O₂
• 分子量: 188.18
• InChiKey: MONMGLBZOWLFBG-WEVVVXLNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides
  申请人：——

  公开号：US20010031858A1

  公开（公告）日：2001-10-18

  The present invention relates to a process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides of the formula I, 1 in which the anions X are physiologically acceptable anions, and their analogs, which are effective inhibitors of the blood coagulation factor Xa and which can be used, for example, for preventing thromboses. The process according to the invention comprises the coupling of 2-[2-acetylamino-3-(4-amidinophenyl)propionylamino]-2-cyclohexylacetic acid, which is obtained from 2-[2-acetylamino-3-(4-cyanophenyl)acryloylamino]-2-cyclohexylacetic acid by asymmetric hydrogenation and conversion of the cyano group into the amidine, or a salt thereof, with a 3-(2-amino-2-carbamoylethyl)-1-methylpyridinium salt or a salt thereof. The invention furthermore provides starting materials and intermediates for this process, processes for their preparation and acetyl-(S)-4-amidiniophenylalanyl-(S)-cyclohexylglycyl-(S)-(1-methyl-3-pyridinio)alaninamide as ditosylate salt.

  本发明涉及一种制备乙酰－氨基苯丙氨基环己基甘氨酸基吡啶基丙氨酰胺的方法，其化学式为I，其中阴离子X是生理上可接受的阴离子及其类似物。这些类似物是有效的凝血因子Xa的抑制剂，可以用于预防血栓形成。根据本发明的方法包括2-［2-乙酰氨基-3-（4-氨基苯基）丙酰氨基］-2-环己基乙酸的偶联，该化合物是通过不对称氢化和将氰基转化为胺基得到的，或其盐，与3-（2-氨基-2-羰基乙基）-1-甲基吡啶盐或其盐进行偶联。此外，该发明还提供了此过程的起始物质和中间体，以及用于其制备的方法和乙酰-（S）-4-氨基苯丙基-（S）-环己基甘氨酰-（S）-（1-甲基-3-吡啶基）丙氨酰胺作为重苯磺酸盐。
• Nitrogeneous cyclic ketone derivative, process for producing the same, and use
  申请人：Yamaoka Masayoshi

  公开号：US20050038072A1

  公开（公告）日：2005-02-17

  A novel compound represented by the formula (I): wherein rings A and B each represents an optionally substituted aromatic ring, or rings A and B may be bonded to each other through linking between bonds or substituents thereof to form a ring; ring C represents a nitrogenous saturated heterocycle optionally having one or more substituents besides the oxo (provided that 2,3-dioxopyrrolidine ring is excluded); R 1 represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group; and indicates a single bond or a double bond. It has high antagonistic activity against a tachykinin receptor, especially an SP receptor.

  一种新的化合物，化学式表示为（I）：其中环A和环B分别代表一个可选取代芳香环，或者环A和环B通过键或它们的取代基之间的连接结合形成一个环；环C代表一个氮饱和杂环，除了氧代（提供2,3-二氧代吡咯烷环除外）之外，还可以选择具有一个或多个取代基；R1代表氢、可选取代的碳氢基团或可选取代的杂环基团；表示单键或双键。它对一种快速激动肽受体，尤其是SP受体具有高拮抗活性。
• NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1460062A1

  公开（公告）日：2004-09-22

  A novel compound represented by the formula (I): wherein rings A and B each represents an optionally substituted aromatic ring, or rings A and B may be bonded to each other through linking between bonds or substituents thereof to form a ring; ring C represents a nitrogenous saturated heterocycle optionally having one or more substituents besides the oxo (provided that 2,3-dioxopyrrolidine ring is excluded); R1 represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group; and --------¯ indicates a single bond or a double bond. It has high antagonistic activity against a tachykinin receptor, especially an SP receptor.

  一种由式(I)代表的新型化合物： 其中，环 A 和环 B 各自代表一个任选取代的芳香环，或环 A 和环 B 可通过其键或取代基之间的连接而相互键合，形成一个环；环 C 代表一个含氮饱和杂环，除了氧代外，还可任选具有一个或多个取代基（前提是不包括 2,3-二氧代吡咯烷环）；R1 代表氢、任选取代的烃基或任选取代的杂环基；以及 --------¯ 表示单键或双键。它对速激肽受体，尤其是 SP 受体具有很高的拮抗活性。
• PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDINIOALANINAMIDES
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1254159A2

  公开（公告）日：2002-11-06
• PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDYLALANINAMIDES
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1254159B9

  公开（公告）日：2006-06-28