(R)-1-[3-(1-benzyloxycarbonyl-4-piperidyl)propionyl]-3-piperidinecarboxylic acid | 169498-29-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-1-[3-(1-benzyloxycarbonyl-4-piperidyl)propionyl]-3-piperidinecarboxylic acid
• 英文别名: (R)-1-[3-(1-benzyloxycarbonyl-4-piperidyl)-propionyl]-3-piperidinecarboxylic Acid；(3R)-1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carboxylic acid
• CAS: 169498-29-7
• 化学式: C₂₂H₃₀N₂O₅
• 分子量: 402.491
• InChiKey: KBALQYDNPSCNJX-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-1-[3-(1-benzyloxycarbonyl-4-piperidyl)propionyl]-3-piperidinecarboxylic acid 在 lithium hydroxide monohydrate 、 水 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 2.0h， 生成 S-(R*,S*)-β-[[[1-[1-oxo-3-(1-benzyloxycarbonyl-4-piperidinyl)propyl]-3-piperidinyl]carbonyl]amino]-3-pyridinepropanoic acid
  参考文献：
  名称：

  A Practical Synthesis of the Platelet Fibrinogen Antagonist, Elarofiban

  摘要：

  Elarofiban is a novel, nonpeptide, orally active fibrinogen receptor antagonist useful for the treatment of platelet mediated thrombotic disorders (Costanzo, M. J.; Hoekstra, W. J.; Maryanoff, B. E. WO, 97/41102,1997). Herein we describe the process research that was carried out for the synthesis of elarofiban that eventually led to the development of a safe and cost-effective commercial scale process.

  DOI：

  10.1021/op034103o
• 作为产物：
  描述：

  3-哌啶甲酸乙酯 在 水 、 potassium carbonate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 异丙醇 为溶剂， 生成 (R)-1-[3-(1-benzyloxycarbonyl-4-piperidyl)propionyl]-3-piperidinecarboxylic acid
  参考文献：
  名称：

  A Practical Synthesis of the Platelet Fibrinogen Antagonist, Elarofiban

  摘要：

  Elarofiban is a novel, nonpeptide, orally active fibrinogen receptor antagonist useful for the treatment of platelet mediated thrombotic disorders (Costanzo, M. J.; Hoekstra, W. J.; Maryanoff, B. E. WO, 97/41102,1997). Herein we describe the process research that was carried out for the synthesis of elarofiban that eventually led to the development of a safe and cost-effective commercial scale process.

  DOI：

  10.1021/op034103o

文献信息

• Process for preparing [S- (R*, S*) ] -beta- [ [ [1- [1-oxo-3- (4-piperidinyl) propyl] -3-piperidinyl] carbonyl]amino] -3-pyridinepropanoic acid and derivatives
  申请人：——

  公开号：US20020137937A1

  公开（公告）日：2002-09-26

  A process for preparing a compound of formula I 1 wherein R 1 and R 2 are independently selected from the group consisting of hydrogen, lower alkyl and halogen

  制备化合物I1的方法，其中R1和R2分别选自氢、低烷基和卤素的组。
• Beta-alanine derivatives and their use as receptor anatgonists
  申请人：——

  公开号：US20030018193A1

  公开（公告）日：2003-01-23

  A beta-alanine derivative of the formula (I) wherein R 1 is hydrogen atom or an amino protective group; A is a lower alkylene group or a lower alkenylene group; R 2 is hydrogen atom or an amino group which may be substituted with an acyl group; R 3 is hydrogen atom or an aryl or aralkyl group which may be substituted with one or more of hydroxy and/or lower alkoxy, a moiety represented by the formula (II), which is a bivalent N-containing 6- to 8-membered heterocyclic group, or a pharmaceutically acceptable salt thereof.

  公式（I）的β-丙氨酸衍生物，其中R1是氢原子或氨基保护基团；A是较低的烷基或较低的烯基基团；R2是氢原子或氨基团，可能被酰基取代；R3是氢原子或芳基或芳基基团，可能被一个或多个羟基和/或较低的烷氧基取代，由公式（II）表示的基团，该基团是一种双价的含氮6-到8-成员杂环基团，或其药用盐。
• Beta-alanine derivative and a process for the preparation thereof
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：US20010051730A1

  公开（公告）日：2001-12-13

  This invention relates to &bgr;-alanine derivatives represented by the following formula: 1 wherein each symbol is as defined in the specification and pharmaceutically acceptable salt thereof which is glycoprotein IIb/IIIa antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets, to processes for the preparation thereof, to a pharmaceutical composition comprising the same and to a method for the prevention and/or treatment diseases indicated in the specification to a human being or an animal.

  本发明涉及以下公式所表示的&bgr;-丙氨酸衍生物：1其中每个符号如说明书所定义的，并且其药学上可接受的盐是糖蛋白IIb/IIIa拮抗剂，血小板聚集抑制剂和纤维蛋白原与血小板结合的抑制剂，涉及其制备方法，包括它的制药组合物，以及用于预防和/或治疗说明书中所指示的人类或动物疾病的方法。
• Process for forming an amide bond
  申请人：——

  公开号：US20010037011A1

  公开（公告）日：2001-11-01

  A process for forming an amide bond comprising reacting a carboxylic acid with an amine carboxylate salt, in the presence of an inorganic base.

  一种形成酰胺键的过程，包括在无机碱存在下，将羧酸与胺羧酸盐反应。
• Process for preparing [S-(R*,S*)]-&bgr;-[[[1-[1-oxo-3(4-piperidinyl)propyl]-3-piperidinyl]carbonyl]amino]-3-pyridinepropanoic acid and derivatives
  申请人：——

  公开号：US06515130B1

  公开（公告）日：2003-02-04

  A process for preparing a compound of formula I wherein R1 and R2 are independently selected from the group consisting of hydrogen, lower alkyl and halogen

  一种制备化合物I的方法，其中R1和R2是独立地选择自氢、低级烷基和卤素的群组。