3,6-diamino-N²,N⁵-bis(benzyl D-O-benzylaspartato)pyrazine-2,5-dicarboxamide | 960510-35-4

• 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: 3,6-diamino-N²,N⁵-bis(benzyl D-O-benzylaspartato)pyrazine-2,5-dicarboxamide
• 英文别名: 3,6-diamino-N2,N5-bis[(R)-1,2-di(benzyloxycarbonyl)ethyl]pyrazine-2,5-dicarboxamide；3,6-diamino-N2,N5-bis(benzyl D-O-benzyl-aspartate)-pyrazine-2,5-dicarboxamide；dibenzyl (2R)-2-[[3,6-diamino-5-[[(2R)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]carbamoyl]pyrazine-2-carbonyl]amino]butanedioate
• CAS: 960510-35-4
• 化学式: C₄₂H₄₀N₆O₁₀
• 分子量: 788.814
• InChiKey: SVQDEJSQMGCFNM-ROJLCIKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  58
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  241
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  3,6-diamino-N²,N⁵-bis(benzyl D-O-benzylaspartato)pyrazine-2,5-dicarboxamide 在 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以54%的产率得到3,6-diamino-N2,N5-bis(D-aspartate)-pyrazine-2,5-dicarboxamide
  参考文献：
  名称：

  METHODS FOR RENAL FUNCTION DETERMINATION

  摘要：

  本公开涉及用于确定肾小球滤过率或评估患者肾功能的系统和方法。该方法包括向患者施用化合物I的吡嗪类化合物，并监测患者的肾脏从患者的全身循环中排除吡嗪的速率。当暴露于电磁辐射时，吡嗪化合物会发出荧光，使用一个或多个传感器来检测。患者体内荧光减少的速率被用来计算患者的肾小球滤过率。

  公开号：

  US20190125902A1
• 作为产物：
  描述：

  dipotassium 2,4,6,8-tetrahydroxypyrimido(4,5-g)pteridine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 sodium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 20.0~170.0 ℃ 、790.82 kPa 条件下， 反应 2.0h， 生成 3,6-diamino-N²,N⁵-bis(benzyl D-O-benzylaspartato)pyrazine-2,5-dicarboxamide
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE
  [FR] COMPOSITIONS ET MÉTHODES POUR ÉVALUER LE SYSTÈME VASCULAIRE DE L'ŒIL

  摘要：

  本公开涉及用于评估人体血管和器官的组合物和方法，更具体地说是用于评估眼部血管的方法。

  公开号：

  WO2016183351A1

文献信息

• Pyrazine Derivatives and Uses Thereof in Renal Monitoring
  申请人：MediBeacon, LLC

  公开号：US20150320745A1

  公开（公告）日：2015-11-12

  The present invention relates to pyrazine derivatives such as those represented by Formulas I and II below. X 1 to X 4 of the compounds of Formulas I and II may be characterized as electron withdrawing groups. In contrast, Y 1 to Y 4 of the compounds of Formulas I and II may be characterized as electron donating groups. Pyrazine derivatives of the present invention may be utilized in assessing renal function. In particular, an effective amount of a pyrazine derivative of the invention may be administered into a body of a patient. The pyrazine derivative that is in the body may be exposed to visible and/or infrared light to cause spectral energy to emanate from the pyrazine derivative. This emanating spectral energy may be detected and utilized to determine renal function of the patient.

  本发明涉及吡嗪衍生物，例如以下式I和II所代表的衍生物。式I和II化合物的X1至X4可以被表征为电子吸引基团。相反，式I和II化合物的Y1至Y4可以被表征为电子供给基团。本发明的吡嗪衍生物可用于评估肾功能。特别地，本发明的吡嗪衍生物的有效量可以被注入患者体内。在体内的吡嗪衍生物可以暴露于可见和/或红外光以使光谱能量从吡嗪衍生物中发射出来。这个发射的光谱能量可以被检测并用于确定患者的肾功能。
• Compositions and methods for assessing eye vasculature
  申请人：MediBeacon Inc.

  公开号：US11160880B2

  公开（公告）日：2021-11-02

  Compositions and methods for assessing blood vessels and organs of the body are disclosed herein, specifically methods for assessing the vasculature of the eye.

  本文公开了用于评估人体血管和器官的组合物和方法，特别是用于评估眼部血管的方法。
• WO2007/149479
  申请人：——

  公开号：——

  公开（公告）日：——
• Hydrophilic Pyrazine Dyes as Exogenous Fluorescent Tracer Agents for Real-Time Point-of-Care Measurement of Glomerular Filtration Rate
  作者：Raghavan Rajagopalan、William L. Neumann、Amruta R. Poreddy、Richard M. Fitch、John N. Freskos、Bethel Asmelash、Kimberly R. Gaston、Karen P. Galen、Jeng-Jong Shieh、Richard B. Dorshow

  DOI：10.1021/jm200257k

  日期：2011.7.28

  Various hydrophilic pyrazine-bis(carboxamides) derived from 3,5-diamino-pyrazine-2,5-dicarboxylic acid bearing neutral and anionic groups were prepared and evaluated for use as fluorescent glomerular filtration rate (GFR) tracer agents. Among these, the dianionic D-serine pyrazine derivatives 2d and 2j, and the neutral dihydroxypropyl 2h, exhibited favorable physicochemical and clearance properties. In vitro studies show that 2d, 2h, and 2j have low plasma protein binding, a necessary condition for renal excretion. In vivo animal model results show that these three compounds exhibit a plasma clearance equivalent to iothalamate (a commonly considered gold standard GFR agent). In addition, these compounds have a higher urine recovery compared to iothalamate. Finally, the plasma clearance of 2d, 2h, and 2j remained unchanged upon blockage of the tubular secretion pathway with probenecid, a necessary condition for establishment of clearance via glomerular filtration only. Hence, 2d, 2h, and 2j are promising candidates for translation to the clinic as exogenous fluorescent tracer agents in real-time point-of-care monitoring of GFR.
• PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING
  申请人：MediBeacon, LLC

  公开号：EP2029554B1

  公开（公告）日：2014-03-19