(4-butyl-2, 3-dioxo-piperazin-1-yl)-acetic acid | 488846-70-4

• 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: (4-butyl-2, 3-dioxo-piperazin-1-yl)-acetic acid
• 英文别名: 2-(4-butyl-2,3-dioxopiperazin-1-yl) acetic acid；(4-Butyl-2,3-dioxo-piperazin-1-yl)-acetic Acid；2-(4-Butyl-2,3-dioxopiperazin-1-yl)acetic acid
• CAS: 488846-70-4
• 化学式: C₁₀H₁₆N₂O₄
• 分子量: 228.248
• InChiKey: CXZMQLQAMRIYJE-UHFFFAOYSA-N

物化性质

• 沸点：
  384.1±44.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  77.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-butyl-2, 3-dioxo-piperazin-1-yl)-acetic acid 、 (R)-tert-butyl (1-hydrazinyl-2-methyl-1-oxo-3-phenylpropan-2-yl)carbamate 在 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-((2-((R)-2-tert-butoxycarbonylamino-2-methyl-3-phenylpropanoyl)hydrazino)acetyl)-4-butylpiperazine-2,3-dione
  参考文献：
  名称：

  WO2006/78576

  摘要：

  公开号：
• 作为产物：
  描述：

  溴乙酸叔丁酯 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 、 mineral oil 为溶剂， 反应 0.5h， 以36%的产率得到(4-butyl-2, 3-dioxo-piperazin-1-yl)-acetic acid
  参考文献：
  名称：

  JP2005/504737

  摘要：

  公开号：

文献信息

• [EN] ASPARTYL PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE L'ASPARTYL-PROTEASE
  申请人：SUNESIS PHARMACEUTICALS INC

  公开号：WO2003106405A1

  公开（公告）日：2003-12-24

  The present invention provides compounds having formula (I): wherein R’, R0, R1, X1, R2, R3, R3’, X2, X3, and R4 are as defined herein, and pharmaceuticals compositions thereof. The present invention also provides methods of inhibiting proteases, more specially aspartyl proteases. In certain embodiments, compounds inhibit BACE (β-site APP-cleaving enzyme), and thus are useful in the treatment or prevention of a disease characterized by β-amyloid deposits in the brain (including, but not limited to, Alzheimer’s Disease). The present invention also provides methods for preparing compounds of the invention.

  本发明提供具有以下结构的化合物（I）：其中R'、R0、R1、X1、R2、R3、R3'、X2、X3和R4如本文所定义，并且其药物组合物。本发明还提供抑制蛋白酶的方法，更具体地是天冬氨酸蛋白酶。在某些实施例中，这些化合物抑制BACE（β-APP裂解酶），因此可用于治疗或预防大脑中存在β-淀粉样沉积的疾病（包括但不限于阿尔茨海默病）。本发明还提供了制备本发明化合物的方法。
• N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds
  申请人：——

  公开号：US20030109559A1

  公开（公告）日：2003-06-12

  Disclosed are compounds of the formula (I): 1 useful in treating Alzheimer's disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

  揭示了以下式（I）的化合物，用于治疗阿尔茨海默病和其他类似疾病。这些化合物包括抑制β-分泌酶酶的抑制剂，可用于治疗阿尔茨海默病和其他在哺乳动物体内沉积Aβ肽的疾病。本发明的化合物在制药组合物和治疗方法中有用，可减少Aβ肽的形成。
• N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds
  申请人：Gailunas Andrea

  公开号：US20060194817A1

  公开（公告）日：2006-08-31

  Disclosed are compounds of the formula (I): useful in treating Alzheimer's disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

  公开了式(I)的化合物：对治疗阿尔茨海默病和其他类似疾病有用。这些化合物包括β-分泌酶酶的抑制剂，可用于治疗阿尔茨海默病和其他以哺乳动物中A beta肽沉积为特征的疾病。本发明的化合物在制药组合物和治疗方法中有用，以减少A beta肽的形成。
• Aminomethyl Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Coburn Craig A.

  公开号：US20080153846A1

  公开（公告）日：2008-06-26

  The present invention is directed to aminomethyl compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及氨甲基化合物，它们是β-分泌酶酶的抑制剂，并且在β-分泌酶酶参与的疾病的治疗中非常有用，例如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在β-分泌酶酶参与的这些疾病的治疗中的用途。
• N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS
  申请人：Gailunas Andrea

  公开号：US20100048590A1

  公开（公告）日：2010-02-25

  Disclosed are compounds of the formula (I): useful in treating Alzheimer's disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

  本发明涉及一种公式(I)的化合物，其可用于治疗阿尔茨海默病和其他类似疾病。这些化合物包括β-分泌酶酶抑制剂，其可用于治疗阿尔茨海默病和其他在哺乳动物中表现为Aβ肽沉积的疾病。本发明的化合物可用于制备药物组合物和治疗方法，以减少Aβ肽的形成。