MP 3117 | 1056021-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: MP 3117
• 英文别名: 3,6-diamino-N2,N5-bis(4-carbamimidoylbenzyl)pyrazine-2,5-dicarboxamide；3,6-diamino-N2,N5-bis(4-carbamimidoylbenzy)pyrazine-2,5-dicarboxamide；3,6-diamino-2-N,5-N-bis[(4-carbamimidoylphenyl)methyl]pyrazine-2,5-dicarboxamide
• CAS: 1056021-23-8
• 化学式: C₂₂H₂₄N₁₀O₂
• 分子量: 460.498
• InChiKey: ZMDTURSWYNPUPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  236
• 氢给体数：
  8
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,6-diaminopyrazine-2,5-dicarboxylic acid 、 4-amidinobenzylamine dihydrochloride 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 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以27%的产率得到MP 3117
  参考文献：
  名称：

  [EN] INTEGRATED PHOTOACTIVE AGENTS AND USES THEREOF
  [FR] AGENTS PHOTOACTIFS INTÉGRÉS ET LEURS UTILISATIONS

  摘要：

  本发明揭示了一些设计用于结合和抑制丝氨酸蛋白酶的光活性化合物。本文披露的化合物可用于许多适当的医学诊断和/或治疗程序，例如监测止血、易损斑块的成像和/或治疗以及/或肿瘤成像和/或治疗。

  公开号：

  WO2009018405A1

文献信息

• INTEGRATED PHOTOACTIVE SMALL MOLECULES AND USES THEREOF
  申请人：Mallinckrodt Inc.

  公开号：EP2131861A2

  公开（公告）日：2009-12-16
• Integrated Photoactive Small Molecules and Uses Thereof
  申请人：Neumann William L.

  公开号：US20100105899A1

  公开（公告）日：2010-04-29

  This invention is directed to the general method of transforming non-photoactive bioactive small molecule compounds of known structure and function into photoactive analogs of the small molecules which exhibit both photoactivity and the original biological targeting activity. The general method for the design of the photoactive analogs of the small molecules includes: (a) selecting a desired bioactive molecule; (b) identifying the region of the molecule that contains an aromatic or a heteroaromatic motif; and (c) either replacing said motif with a photoactive functional group of similar size, or modifying said motif to make it photoactive. Other aspects include photoactive analog compounds and photodiagnostic and phototherapeutic uses thereof.
• Integrated Photoactive Agents for Real-Time Monitoring of Hemostasis
  申请人：Neumann William L.

  公开号：US20100196460A1

  公开（公告）日：2010-08-05

  The present invention discloses a number of photoactive compounds designed to bind and inhibit serine proteases. Compounds disclosed herein may be utilized in a number of appropriate medical diagnostic and/or therapeutic procedures such as the monitoring of hemostasis, imaging and/or treatment of vulnerable plaques, and/or tumor imaging and/or treatment.
• INTEGRATED PHOTOACTIVE AGENTS AND USES THEREOF
  申请人：MediBeacon Development, LLC

  公开号：US20130136698A1

  公开（公告）日：2013-05-30

  The present invention discloses a number of photoactive compounds designed to bind and inhibit serine proteases. Compounds disclosed herein may be utilized in a number of appropriate medical diagnostic and/or therapeutic procedures such as the monitoring of hemostasis, imaging and/or treatment of vulnerable plaques, and/or tumor imaging and/or treatment.
• US8313729B2
  申请人：——

  公开号：US8313729B2

  公开（公告）日：2012-11-20