1-氨基环戊烷-1,2-二羧酸 | 7399-37-3

• 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: 1-氨基环戊烷-1,2-二羧酸
• 英文名称: 1-Amino-cyclopentan-dicarbonsaeure-(1,2)
• 英文别名: 1-amino-cyclopentane-1,2-dicarboxylic acid；1-Aminocyclopentane-1,2-dicarboxylic acid
• CAS: 7399-37-3
• 化学式: C₇H₁₁NO₄
• 分子量: 173.169
• InChiKey: ICCJHMNYUMDWSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-氨基环戊烷-1,2-二羧酸 在 盐酸 作用下， 以 水 为溶剂， 以23 mg的产率得到1-amino-cyclopentane-1,2-dicarboxylic acid hydrochloride
  参考文献：
  名称：

  Identification of Selective Norbornane-Type Aspartate Analogue Inhibitors of the Glutamate Transporter 1 (GLT-1) from the Chemical Universe Generated Database (GDB)

  摘要：

  A variety of conformationally constrained aspartate and glutamate analogues inhibit the glutamate transporter 1 (GLT-1, also known as EAAT2). To expand the search for such analogues, a virtual library of aliphatic aspartate and glutamate analogues was generated starting from the chemical universe database GDB-11 which contains 26.4 million possible molecules up to 11 atoms of C. N. O, F, resulting in 101026 aspartate analogues and 151285 glutamate analogues. Virtual screening was realized by high-throughput docking to the glutamate binding site of the glutamate transporter homologue from Pyrococcus horikoshii (PDB code: 1XFH) using Autodock. Norbornane-type aspartate analogues were selected from the top-scoring virtual hits and synthesized. Testing and optimization led to the identification of (1R*,2R*,3S*,4R*,6R*)-2-amino-6-phenethyl-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid as a new inhibitor of GLT-1 with IC(50) = 1.4 mu M against GLT-1 and no inhibition of the related transporter EAAC1. The systematic diversification of ligands by enumeration with help of GDB followed by virtual screening, synthesis. and testing as exemplified here provides a general strategy For drug discovery.

  DOI：

  10.1021/jm100959g
• 作为产物：
  描述：

  2,4-dioxo-1,3-diaza-spiro[4.4]nonane-6-carboxylic acid 在 barium dihydroxide 作用下， 以 水 为溶剂， 生成 1-氨基环戊烷-1,2-二羧酸
  参考文献：
  名称：

  428. 1-氨基环戊烷羧酸的一些衍生物和有关化合物

  摘要：

  DOI：

  10.1039/jr9600002119

文献信息

• Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex
  申请人：Gravel Denis

  公开号：US20060135480A1

  公开（公告）日：2006-06-22

  The present invention relates to derivatives of succinic and glutaric acids and analogues thereof, having the following general formula (I), useful as inhibitors of PHEX. These derivatives are useful for promoting generation of bone mass and treating or preventing diseases or conditions associated with a phosphate metabolism defect. Methods for preparation and intermediates are also disclosed.

  本发明涉及琥珀酸和戊二酸的衍生物及其类似物，具有以下一般式（I），可用作PHEX的抑制剂。这些衍生物有助于促进骨量的生成，并治疗或预防与磷酸盐代谢缺陷相关的疾病或病症。本发明还公开了制备方法和中间体。
• Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX
  申请人：Gravel Denis

  公开号：US20060287280A1

  公开（公告）日：2006-12-21

  The present invention relates to derivatives of succinic and glutaric acids and analogues thereof, having the following general formula: useful as inhibitors of PHEX. These derivatives are useful for promoting generation of bone mass and treating or preventing diseases or conditions associated with a phosphate metabolism defect. Methods for preparation and intermediates are also disclosed.

  本发明涉及琥珀酸和戊二酸及其类似物的衍生物，其具有以下一般式：用作PHEX的抑制剂。这些衍生物有助于促进骨量的生成，并用于治疗或预防与磷酸盐代谢缺陷有关的疾病或病况。本发明还公开了制备方法和中间体。
• 428. Some derivatives of 1-aminocyclopentanecarboxylic acid and related compounds
  作者：T. A. Connors、W. C. J. Ross

  DOI：10.1039/jr9600002119

  日期：——
• DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX
  申请人：Enobia Pharma Inc.

  公开号：EP1572645A2

  公开（公告）日：2005-09-14
• US5536709A
  申请人：——

  公开号：US5536709A

  公开（公告）日：1996-07-16