(4-methyl-1-nitroso-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl)acetic acid ethyl ester | 856897-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (4-methyl-1-nitroso-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl)acetic acid ethyl ester
• 英文别名: (4-Methyl-1-nitroso-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)acetic acid ethyl ester；ethyl 2-(4-methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)acetate
• CAS: 856897-64-8
• 化学式: C₁₀H₁₄N₂O₄
• 分子量: 226.232
• InChiKey: UPWZFYUNTNRDSN-UHFFFAOYSA-N

物化性质

• 沸点：
  315.2±52.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-methyl-1-nitroso-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl)acetic acid ethyl ester 在 2,6-二叔丁基-4-甲基吡啶 、 溶剂黄146 、 锌 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 0.5h， 生成 ethyl {1-[(2,2-difluoro-2-pyridin-2-ylethyl)-amino]-4-methyl-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl}-acetate
  参考文献：
  名称：

  WO2006/135323

  摘要：

  公开号：
• 作为产物：
  描述：

  1-Boc-4-甲基哌啶 在 吡啶 、 盐酸 、 ruthenium(IV) oxide 、 sodium periodate 、 双氧水 、 三氟乙酸 、 lithium hexamethyldisilazane 、 sodium nitrite 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 32.09h， 生成 (4-methyl-1-nitroso-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl)acetic acid ethyl ester
  参考文献：
  名称：

  WO2006/135323

  摘要：

  公开号：

文献信息

• [EN] NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN<br/>[FR] NOUVEAUX COMPOSES DE 5,6-DIHYDROPYRIN-2-ONE UTILES EN TANT QU'INHIBITEURS DE THROMBINE
  申请人：ASTRAZENECA AB

  公开号：WO2005058826A1

  公开（公告）日：2005-06-30

  There is provided a compound of formula (I) wherein R1, R2a, R2b, R3a, R3b, R4, R5, R6, A, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competetive inhibitors of trypsin-like proteases, such as trombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e,g. conditions, such as thrombo-embolisms, where inhibition of trombin is required or desired, and/or conditions wherea anticoagulant thererapy is indicated).

  提供了一个式(I)的化合物，其中R1、R2a、R2b、R3a、R3b、R4、R5、R6、A、G和L的含义如描述中所给，这些化合物可用作或可用作胰蛋白酶类竞争性抑制剂的前体药物，例如血栓素，因此特别适用于治疗需要抑制血栓素有益的疾病（例如需要或希望抑制血栓素的血栓栓塞等疾病，以及抗凝治疗适用的疾病）。
• 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin
  申请人：Berggren Kristina

  公开号：US20070099962A1

  公开（公告）日：2007-05-03

  There is provided a compound of formula (I) wherein R 1 , R 2a , R 2b , R 3a , R 3b , R 4 , R 5 , R 6 , A, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as trombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of trombin is required or desired, and/or conditions whereas anticoagulant therapy is indicated).

  提供了一个化合物的公式（I），其中R1，R2a，R2b，R3a，R3b，R4，R5，R6，A，G和L的含义如描述中所给，这些化合物可用作具有竞争性的胰蛋白酶样蛋白酶的抑制剂或其前药，例如血栓素，因此特别适用于治疗抑制血栓素有益的疾病（例如需要或希望抑制血栓素的血栓栓塞等疾病，以及需要抗凝治疗的疾病）。
• Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives
  申请人：Nilsson Ingemar

  公开号：US20080207695A1

  公开（公告）日：2008-08-28

  There is provided a compound of formula (I) wherein R 1 , R 2a , R 2b , R 3a , R 3b , R 4 , R 5a , R 5b , R 6 to R 8 , A and G have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供一种式子为(I)的化合物，其中R1、R2a、R2b、R3a、R3b、R4、R5a、R5b、R6至R8、A和G的含义在说明中给出，这些化合物可用作竞争性蛋白酶抑制剂或其前药，例如对于类似凝血酶的蛋白酶的抑制，特别是在治疗需要抑制凝血酶的情况下（例如需要或期望抑制凝血酶的血栓栓塞性疾病和需要抗凝治疗的情况）。
• From natural products to achiral drug prototypes: Potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs
  作者：Stephen Hanessian、Eric Therrien、Jianbin Zhang、Willem van Otterlo、Yafeng Xue、David Gustafsson、Ingemar Nilsson、Ola Fjellström

  DOI：10.1016/j.bmcl.2009.07.107

  日期：2009.9

  A series of dihydropyrid-2-ones was synthesized and tested for inhibitory activity against serine protease enzymes. Moderate to low nanomolar inhibitory activities were obtained against thrombin and excellent selectivity against trypsin was observed. (C) 2009 Elsevier Ltd. All rights reserved.
• NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN
  申请人：AstraZeneca AB

  公开号：EP1697323A1

  公开（公告）日：2006-09-06