1-amino-4-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid | 22356-88-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-amino-4-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
• 英文别名: 1-amino-4-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-3-sulfo-anilino]-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid；1-Amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
• CAS: 22356-88-3
• 化学式: C₂₃H₁₄Cl₂N₆O₈S₂
• 分子量: 637.438
• InChiKey: WMMDLLKMVKWKIP-UHFFFAOYSA-N

物化性质

• 密度：
  1.860±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  248
• 氢给体数：
  5
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  1-amino-4-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid 在 sodium carbonate 、 sodium chloride 作用下， 以 水 为溶剂， 反应 23.0h， 生成 reactive blue 2 (p-isomer)
  参考文献：
  名称：

  [EN] METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES
  [FR] MÉTHODE DE PURIFICATION D'ANTICORPS, DE FRAGMENTS OU DE VARIANTS GÉNÉTIQUEMENT MODIFIÉS DESDITS ANTICORPS, AU MOYEN DE STRUCTURES DE LIGANDS COLORANTS D'ANTHRAQUINONE SPÉCIFIQUES

  摘要：

  本发明涉及一种新型吸附剂，适用于分离或纯化抗体、抗体片段或工程变体的过程，其中包括蒽醌染料配体；相应的纯化过程；以及相应的分析或制备分离试剂盒。

  公开号：

  WO2015117984A1
• 作为产物：
  描述：

  溴氨酸 在 copper diacetate 、 sodium carbonate 作用下， 以 水 、 丁酮 为溶剂， 反应 3.5h， 生成 1-amino-4-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
  参考文献：
  名称：

  [EN] METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES
  [FR] MÉTHODE DE PURIFICATION D'ANTICORPS, DE FRAGMENTS OU DE VARIANTS GÉNÉTIQUEMENT MODIFIÉS DESDITS ANTICORPS, AU MOYEN DE STRUCTURES DE LIGANDS COLORANTS D'ANTHRAQUINONE SPÉCIFIQUES

  摘要：

  本发明涉及一种新型吸附剂，适用于分离或纯化抗体、抗体片段或工程变体的过程，其中包括蒽醌染料配体；相应的纯化过程；以及相应的分析或制备分离试剂盒。

  公开号：

  WO2015117984A1

文献信息

• NOVEL P2Y12 RECEPTOR ANTAGONISTS
  申请人：Müller Christa E.

  公开号：US20100210654A1

  公开（公告）日：2010-08-19

  The present invention relates to novel P2Y 12 receptor antagonists useful for treating, alleviating and/or preventing diseases and disorders related to P2Y 12 receptor function as well as pharmaceutical compositions comprising such compounds and methods for preparing such compounds. The present invention is further directed to the use of these compounds, alone or in combination with other therapeutic agents, for the alleviation, prevention and/or treatment of diseases and disorders, especially the use as antithrombotic agents for inhibiting platelet aggregation.

  本发明涉及一种新的P2Y12受体拮抗剂，可用于治疗、缓解和/或预防与P2Y12受体功能相关的疾病和障碍，以及包含这些化合物的制药组合物和制备这些化合物的方法。本发明进一步涉及使用这些化合物，单独或与其他治疗剂联合使用，以缓解、预防和/或治疗疾病和障碍，特别是用作抗血栓药物来抑制血小板聚集。
• Constitutional isomers of Reactive Blue 2 – selective P2Y-receptor antagonists?
  作者：Markus Glänzel、Ralph Bültmann、Klaus Starke、August W Frahm

  DOI：10.1016/s0223-5234(02)01449-6

  日期：2003.3

  The anthraquinone derivative Reactive Blue 2 (RB 2) is one of the most widely used P2-receptor antagonists, still claimed to be P2Y-selective. RB 2 is defined as a mixture of two constitutional isomers and commercially available in different identity and purity. A sample of RB 2, offered for sale by RBI, purchased from Biotrend, Koln, Germany, was chromatographically purified and identified by H-1- and C-13-NMR studies as a 35:65 mixture of the terminal ring F meta and para constitutional isomers. The two constitutional isomers of RB 2 were synthesised and tested alongside with the ortho isomer Cibacron Blue 3GA (CB 3GA) on contractions of the,rat vas deferens (RVD) elicited by alpha,beta-methylene ATP (alpha,beta-MeATP), mediated by P2X(1)-receptors, and relaxations of the carbachol-precontracted guinea pig taenia coli elicited by adenosine 5'-O-(2-thiophosphate) (ADPOS), mediated by P2Y(1)-like-receptors. All compounds inhibited the alpha,beta-MeATP induced contraction of the RVD and the ADPbetaS induced relaxation of the carbachol precontracted guinea-pig taenia coli. The IC50-values at P2X(1)-R were 9.1 muM for CB 3GA, 28.4 muM for RB 2, 19.7 muM for RB 2 meta, and 35.5 muM for RB 2 para. The IC50-values at P2Y(1)-like-R were 17.4 muM for CB 3GA, 7.7 muM for RB 2, 12.0 muM for RB 2 meta, and 2.6 muM for RB 2 para. The results clearly show that neither RB 2 as a mixture nor the pure ortho and meta isomer are P2Y(1)-like- versus P2X(1)-selective antagonists. In contrast the pure para-isomer of RB 2 is a moderately P2Y(1)-like- versus P2X(1)-selective antagonist. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.
• WO2006/108760
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES<br/>[FR] MÉTHODE DE PURIFICATION D'ANTICORPS, DE FRAGMENTS OU DE VARIANTS GÉNÉTIQUEMENT MODIFIÉS DESDITS ANTICORPS, AU MOYEN DE STRUCTURES DE LIGANDS COLORANTS D'ANTHRAQUINONE SPÉCIFIQUES
  申请人：BASF SE

  公开号：WO2015117984A1

  公开（公告）日：2015-08-13

  The present invention relates to novel adsorbents applicable a process for the separation or purification of antibodies, antibody fragments or engineered variants thereof, which comprise anthraquinone dye ligands; corresponding purification processes; and corresponding analytical or preparative separation kits.

  本发明涉及一种新型吸附剂，适用于分离或纯化抗体、抗体片段或工程变体的过程，其中包括蒽醌染料配体；相应的纯化过程；以及相应的分析或制备分离试剂盒。