(6R,8aR)-6-氨基-5-氧代六氢-8A(1H)-吲嗪羧酸 | 172039-41-7

• 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
• 中文名称: (6R,8aR)-6-氨基-5-氧代六氢-8A(1H)-吲嗪羧酸
• 中文别名: 8a(1H)-中氮茚羧酸,6-氨基六氢-5-羰基-,(6R-顺)-(9CI)
• 英文名称: (R,R)-6-amino-5-oxoperhydro-8a-indolizinecarboxylic acid
• 英文别名: (6R,8aR)-6-Amino-5-oxohexahydroindolizine-8a(1H)-carboxylic acid；(6R,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid
• CAS: 172039-41-7
• 化学式: C₉H₁₄N₂O₃
• 分子量: 198.222
• InChiKey: MDEYUQZRANNBGV-HZGVNTEJSA-N

物化性质

• 沸点：
  424.7±45.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (6R,8aR)-6-氨基-5-氧代六氢-8A(1H)-吲嗪羧酸 在 氯化亚砜 作用下， 生成 (1R,7R)-5,8-diazatricyclo<5.2.2.0^1,5>undecane-6,9-dione
  参考文献：
  名称：

  Design and synthesis of a cis-gly-pro, type-VI turn, dipeptide mimetic and its use in fmoc-solid phase peptide synthesis

  摘要：

  The Fmoc-protected bicyclic molecules 7 and 8 have been produced as cis-Gly-Pro peptide mimetics in nine synthetic steps starting from optically pure (R)-2-allylproline. Their use in solid-phase peptide synthesis has been demonstrated by their incorporation into analogues of cis-Gly(6)-Pro(7)-bradykinin.

  DOI：

  10.1016/s0040-4039(00)75983-1
• 作为产物：
  描述：

  (R)-2-烯丙基吡咯烷-2-羧酸 在 4-二甲氨基吡啶 、 platinum(IV) oxide 、 palladium on activated charcoal sodium hydroxide 、 硫酸 、 氢气 、 臭氧 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 (6R,8aR)-6-氨基-5-氧代六氢-8A(1H)-吲嗪羧酸
  参考文献：
  名称：

  Design and synthesis of a cis-gly-pro, type-VI turn, dipeptide mimetic and its use in fmoc-solid phase peptide synthesis

  摘要：

  The Fmoc-protected bicyclic molecules 7 and 8 have been produced as cis-Gly-Pro peptide mimetics in nine synthetic steps starting from optically pure (R)-2-allylproline. Their use in solid-phase peptide synthesis has been demonstrated by their incorporation into analogues of cis-Gly(6)-Pro(7)-bradykinin.

  DOI：

  10.1016/s0040-4039(00)75983-1

文献信息

• Method of identifying inhibitors of CDC25
  申请人：——

  公开号：US20020183249A1

  公开（公告）日：2002-12-05

  The present invention relates to polypeptides which comprise the ligand binding domain of Cdc25, crystalline forms of these polypeptides and the use of these crystalline forms to determine the three dimensional structure of the catalytic domain of Cdc25. The invention also relates to the use of the three dimensional structure of the Cdc25 catalytic domain in methods of designing and/or identifying potential inhibitors of Cdc25 activity, for example, compounds which inhibit the binding of a native substrate to the Cdc25 catalytic domain.

  本发明涉及包含 Cdc25 配体结合结构域的多肽、这些多肽的结晶形式以及利用这些结晶形式确定 Cdc25 催化结构域的三维结构。本发明还涉及将 Cdc25 催化结构域的三维结构用于设计和/或鉴定 Cdc25 活性的潜在抑制剂的方法，例如，抑制原生底物与 Cdc25 催化结构域结合的化合物。
• METHOD OF IDENTIFYING INHIBITORS OF CDC25
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1226237A2

  公开（公告）日：2002-07-31
• [EN] METHOD OF IDENTIFYING INHIBITORS OF CDC25<br/>[FR] METHODE D'IDENTIFICATION D'INHIBITEURS DE CDC25
  申请人：BASF AG

  公开号：WO2001016300A2

  公开（公告）日：2001-03-08

  The present invention relates to polypeptides which comprise the ligand binding domain of Cdc25, crystalline forms of these polypeptides and the use of these crystalline forms to determine the three dimensional structure of the catalytic domain of Cdc25. The invention also relates to the use of the three dimensional structure of the Cdc25 catalytic domain in methods of designing and/or identifying potential inhibitors of Cdc25 activity, for example, compounds which inhibit the binding of a native substrate to the Cdc25 catalytic domain.
• [EN] METHOD OF IDENTIFYING INHIBITORS OF CDC25<br/>[FR] PROCEDE D'IDENTIFICATION D'INHIBITEURS DE CDC25
  申请人：BASF AG

  公开号：WO2002070680A1

  公开（公告）日：2002-09-12

  The present invention relates to polypeptides which comprises the ligand binding domain of Cdc25, crystalline forms of these polypeptides and the use of these crystalline forms to determine the three dimensional structure of the catalytic domain of Cdc25. The invention also relates to the use of the three dimensional structure of the Cdc25 catalytic domain in methods of designing and/or identifying potential inhibitors of Cdc25 activity, for example, compounds which inhibitors of Cdc25 activity, for example, compounds which inhibit the binding of a native substrate to the Cdc25 catalytic domain.
• Design and synthesis of a cis-gly-pro, type-VI turn, dipeptide mimetic and its use in fmoc-solid phase peptide synthesis
  作者：Dieter Gramberg、John A. Robinson

  DOI：10.1016/s0040-4039(00)75983-1

  日期：1994.1

  The Fmoc-protected bicyclic molecules 7 and 8 have been produced as cis-Gly-Pro peptide mimetics in nine synthetic steps starting from optically pure (R)-2-allylproline. Their use in solid-phase peptide synthesis has been demonstrated by their incorporation into analogues of cis-Gly(6)-Pro(7)-bradykinin.