4-(2-((4-氯-6-苯胺基-1,3,5-三嗪-2-基)氨基)乙基)苯酚 | 189249-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 4-(2-((4-氯-6-苯胺基-1,3,5-三嗪-2-基)氨基)乙基)苯酚
• 英文名称: 2-anilino-4-chloro-6-tyraminotriazine
• 英文别名: 2-chloro-4-(2-[4-hydroxyphenyl]ethylamino)-6-phenylamino-1,3,5-triazine；2-chloro(2-[4-hydroxyphenyl]ethylamino)-6-phenylamino-1,3,5-triazine；Phenol, 4-[2-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]ethyl]-；4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol
• CAS: 189249-70-5
• 化学式: C₁₇H₁₆ClN₅O
• 分子量: 341.8
• InChiKey: GKVQNYVZZKUCTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(2-((4-氯-6-苯胺基-1,3,5-三嗪-2-基)氨基)乙基)苯酚 、 乙二胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以78%的产率得到4-[2-[[4-Anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
  参考文献：
  名称：

  [EN] TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES
  [FR] DIMERES DE LA TRIAZINE DANS LE TRAITEMENT DES MALADIES AUTO-IMMUNES

  摘要：

  含有两个单取代或双取代的三嗪环，通过有机连接剂共价连接在一起的化合物，但不直接连接在一起，可以用于治疗自身免疫性疾病。适用于本发明化合物治疗的自身免疫性疾病包括类风湿性关节炎、系统性红斑狼疮（SLE）、特发性（免疫性）血小板减少症（ITP）、肾小球肾炎和血管炎。本发明还涉及减少常伴随传统自身免疫性疾病治疗的药物毒性。这些化合物也可用于体外或体外结合抗体。

  公开号：

  WO2005049607A1
• 作为产物：
  描述：

  苯胺 在 碳酸氢钠 作用下， 以 水 、 丙酮 为溶剂， 反应 15.83h， 生成 4-(2-((4-氯-6-苯胺基-1,3,5-三嗪-2-基)氨基)乙基)苯酚
  参考文献：
  名称：

  Proximity Histidine Labeling by Umpolung Strategy Using Singlet Oxygen

  摘要：

  DOI：

  10.1021/jacs.1c01626

文献信息

• NOVEL AFFINITY LIGANDS AND THEIR USE
  申请人：NOVO NORDISK A/S

  公开号：EP0959975A1

  公开（公告）日：1999-12-01
• TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES
  申请人：ProMetic BioSciences Inc.

  公开号：EP1687297B1

  公开（公告）日：2014-06-18
• Triazine dimers for the treatment of autoimmune diseases
  申请人：Penney Christopher

  公开号：US20070149528A1

  公开（公告）日：2007-06-28

  Compounds containing two mono- or disubstituted triazine rings covalently linked by an organic linker, but not linked directly to each other, may be used to treat autoimmune diseases. Autoimmune diseases which are amenable to treatment with compounds of this invention include rheumatoid arthritis, systemic lupus erythematosus (SLE), idiopathic (immune) thrombocytopenia (ITP), glomerulonephritis and vasculitis. The present invention also relates to reducing drug toxicity which often accompanies traditional therapies for autoimmune diseases. The compounds may also be used to bind antibody in vitro or ex vivo.
• BIOMOLECULE BINDING LIGANDS
  申请人：Lowe Christopher Robin

  公开号：US20100203650A1

  公开（公告）日：2010-08-12

  The invention provides biomolecule binding ligands, collections of biomolecule binding ligands, and their use in the purification of biological mixtures and in the identification of ligands having an affinity for a substance. The ligand is a compound of formula (III) or a compound of formula (IV): wherein for compounds of formula (I) one of R 1a , R 1b , R 2 , R 3 and R 4 is a group comprising a linker attached to a support, and the others of R 1a , R 1b , R 2 , R 3 and R 4 are independently selected from optionally substituted C 1-20 alkyl, optionally substituted C 3-20 heterocyclyl or optionally substituted C 5-20 aryl, and R 1a , R 1b and R 2 are additionally selected from hydrogen, and R 2 is additionally further selected from —S(═O)R 5 and —C(═S)NR 6 R 7 , wherein R 5 , R 6 and R 7 are independently optionally substituted C 1-20 alkyl, optionally substituted C 3-20 heterocyclyl or optionally substituted C 5-20 aryl, or, optionally, two or more of the others of R 1a , R 1b , R 2 , R 3 and R 4 , together with the atoms to which they are bound, may form a ring; and for compounds of formula (II) one of R 1a , R 1b , R 3 and R 4 is a group comprising a linker attached to a support, and the others of R 1a , R 1b , R 3 and R 4 are independently selected optionally substituted C 1-20 alkyl, optionally substituted C 3-20 heterocyclyl or optionally substituted C 5-20 aryl, and R 1a , and R 1b are additionally selected from hydrogen, or, optionally, two or more of the others of R 1a , R 1b , R 3 and R 4 , together with the atoms to which they are bound, may form a ring.
• ADSORBENT MATERIAL
  申请人：HITACHI CHEMICAL COMPANY, LTD.

  公开号：US20190193050A1

  公开（公告）日：2019-06-27

  An object of the present invention is to provide an adsorbent material having high dispersibility and reversibility. The adsorbent material has a polymer material having a plurality of functional groups ionizable in water and exhibiting no lower limit critical solution temperature, an adsorption site capable of interacting with a target substance, and a carrier.