6-{6-(3-aminophenylamino)-9-[2-(4-aminophenyl)ethyl]-9H-purin-2-ylamino}hexan-1-ol | 917381-67-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-{6-(3-aminophenylamino)-9-[2-(4-aminophenyl)ethyl]-9H-purin-2-ylamino}hexan-1-ol
• 英文别名: 6-[[6-(3-Aminoanilino)-9-[2-(4-aminophenyl)ethyl]purin-2-yl]amino]hexan-1-ol
• CAS: 917381-67-0
• 化学式: C₂₅H₃₂N₈O
• 分子量: 460.582
• InChiKey: SLMFEJGCNRJKFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  140
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-氨基-1-己醇 、 3-N-[9-[2-(4-aminophenyl)ethyl]-2-fluoropurin-6-yl]benzene-1,3-diamine 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 6-{6-(3-aminophenylamino)-9-[2-(4-aminophenyl)ethyl]-9H-purin-2-ylamino}hexan-1-ol
  参考文献：
  名称：

  2,6,9-Trisubstituted purine derivatives as protein A mimetics for the treatment of autoimmune diseases

  摘要：

  A series of 9-substituted and 2,9-disubstituted 6-(3-aminophenylamino) purines were synthesized and evaluated for their ability to mimic protein A binding to human IgG antibody. The structure-activity relationship (SAR) demonstrates that the 6-(3-aminoanilinyl) purine component was essential for activity. Purine 14 demonstrated significant activity, compared to protein A. These compounds may prove useful for the treatment of autoimmune diseases. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.116

文献信息

• Purine derivatives and their use for treatment of autoimmune diseases
  申请人：Zacharie Boulos

  公开号：US20090042768A1

  公开（公告）日：2009-02-12

  Compounds useful in the treatment of autoimmune disease are described by the following general formula: n=0-2 m=0-2 m is not necessarily equal to n; where R 1 , R 3 ═NH 2 , F, Cl, C 1 -C 4 alkoxy or phenoxy group, but R 1 is not necessarily equal to R 3 ; and R 2 ═H, F, Cl, NH 2 , or NH—R—XH; X═CH 2 ,NH, O, or S.

  以下是治疗自身免疫疾病有用的化合物的一般公式： n = 0-2 m = 0-2 m不一定等于n； 其中 R1，R3═NH2，F，Cl，C1-C4烷氧基或苯氧基，但R1不一定等于R3； 且 R2═H，F，Cl，NH2或NH—R—XH； X═CH2，NH，O或S。
• PURINE DERIVATIVES AND THEIR USE FOR TREATMENT OF AUTOIMMUNE DISEASES
  申请人：ProMetic BioSciences Inc.

  公开号：EP1881987A1

  公开（公告）日：2008-01-30
• US8080555B2
  申请人：——

  公开号：US8080555B2

  公开（公告）日：2011-12-20
• [EN] PURINE DERIVATIVES AND THEIR USE FOR TREATMENT OF AUTOIMMUNE DISEASES<br/>[FR] DERIVES DE PURINE ET UTILISATION DE CEUX-CI DANS LE TRAITEMENT DE MALADIES AUTO-IMMUNES
  申请人：PROMETIC BIOSCIENCES INC

  公开号：WO2006136005A1

  公开（公告）日：2006-12-28

  [EN] Compounds useful in the treatment of autoimmune disease are described by the following general formula (I): n = 0-2 m = 0-2 m is not necessarily equal to n; where R₁, R₃ = NH₂, F, Cl, C₁-C₄ alkoxy or phenoxy group, but R₁ is not necessarily equal to R₃; and R₂ = H, F, Cl, NH₂, or NH- R- XH; where R = - (CH₂)p - p = 2-4 = Formula (II), Formula (III) = Formula (IV) q = 0-3 X = CH₂, NH, O, or S.
  [FR] La présente invention concerne décomposée qui convienne pour le traitement de maladie auto-immune, représenté par la formule générale (I) suivante : n = 0-2 m = 0-2 m n'étant pas nécessairement égal à n; dans cette formule R₁, R₃ = NH₂, F, Cl, C₁-C₄ alcoxy ou un groupe phénoxy, mais R₁ n'est pas nécessairement égal à R₃; et R₂ = H, F, Cl, NH₂, ou NH- R- XH; avec R = - (CH₂)p - p = 2-4 = Formule (II), Formule (III) = Formule (IV) q = 0-3 X = CH₂, NH, O, ou S.
• 2,6,9-Trisubstituted purine derivatives as protein A mimetics for the treatment of autoimmune diseases
  作者：Boulos Zacharie、Daniel Fortin、Nicole Wilb、Jean-François Bienvenu、Michel Asselin、Brigitte Grouix、Christopher Penney

  DOI：10.1016/j.bmcl.2008.10.116

  日期：2009.1

  A series of 9-substituted and 2,9-disubstituted 6-(3-aminophenylamino) purines were synthesized and evaluated for their ability to mimic protein A binding to human IgG antibody. The structure-activity relationship (SAR) demonstrates that the 6-(3-aminoanilinyl) purine component was essential for activity. Purine 14 demonstrated significant activity, compared to protein A. These compounds may prove useful for the treatment of autoimmune diseases. (C) 2008 Elsevier Ltd. All rights reserved.