2-chloro-N-(2-furanylmethyl)-9H-purin-6-amine | 101862-47-9

• 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: 2-chloro-N-(2-furanylmethyl)-9H-purin-6-amine
• 英文别名: 2-chloro-6-furfurylaminopurine；2-chloro-N6-furfuryladenine；(2-Chloro-7H-purin-6-yl)-furan-2-ylmethyl-amine；2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
• CAS: 101862-47-9；1215269-71-8；1215269-72-9；1215269-73-0；1215269-74-1
• 化学式: C₁₀H₈ClN₅O
• 分子量: 249.659
• InChiKey: QGUOPVCOXHVPJX-UHFFFAOYSA-N

物化性质

• 熔点：
  241-242 °C
• 沸点：
  388.3±52.0 °C(Predicted)
• 密度：
  1.69±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO:24.97(最大浓度 mg/mL);100.0(最大浓度 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.6
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331
• 包装等级：
  III

反应信息

• 作为反应物：
  描述：

  [Cu2(OAc)4(H2O)2] 、 2-chloro-N-(2-furanylmethyl)-9H-purin-6-amine 以 氨 、 水 、 正丁醇 为溶剂， 以26%的产率得到[Cu2(μ3-2-chloro-N6-furfuryladenine)2(μ2-acetate)2]n
  参考文献：
  名称：

  Structurally varied Cu(II) complexes involving kinetin and its derivatives: Synthesis, characterization and evaluation of SOD-mimic activity

  摘要：

  Three new structural types of Cu(II) complexes of kinetin and its purine- and/or furan-substituted derivatives (HLn), involving acetato-bridges (Ac) or mixed N-donor ligands, are reported. Complexes of the compositions [Cu-2(mu(3)-L-1)(2)(mu(2)-Ac)(2)](n) (1). [Cu-2(mu(3)-L-2)(2)(mu(2)-Ac)(2)](n) (2), [Cu-2(mu(3)-L-3)(2)(mu(2)-AC)(2)](n) (3), [Cu-2(mu(2)-AC)(4)(HL5)(2)] (4), [Cu-2(mu(2)-Ac)(4)(HL6)(2)] (5), [Cu(H2O)(2)(L-3)(2)(Phen)] (6) and [Cu(H2O)(2)(L-4)(2)(Phen)]center dot 2H(2)O (7), with kinetin (N6-furfuryladenine, HL1) and its derivatives N6-(5-methylfurfuryl)adenine (HL2), 2-chloro-N6-furfuryladenine (HL3), 2-chloro-N6-(5-methylfurfuryl)adenine (HL4), 2-chloro-N6-furfury19-isopropyladenine (HL5) and 2-chloro-N6-(5-methylfurfuryl)-9-isopropyladenine (HL6) (phen = 1, 10-phenanthroline), have been fully characterized by elemental analyses, FTIR, electronic spectroscopy, conductivity, temperature dependent magnetic susceptibility measurements, thermogravimetric (TG) and differential thermal (DTA) analyses. The geometry around the Cu(II) centers is square pyramidal in the two structural groups involving the acetato bridges (1-3, and 4,5) and octahedral in the mononuclear 6 and 7. This was confirmed by single crystal X-ray analysis for the dimeric complexes 4 and 5, with each Cu(II) atom five-coordinated by four 0 atoms from the acetato bridges and one N7 atom from the adenine moiety of HLn. The length of the Cu center dot center dot center dot Cu separation present in the dimers 4 and 5 is equal to 2.6508(6) and 2.6523(4) A, respectively. The anti-radical activity of the presented complexes was evaluated by an in vitro SOD-mimic assay and the best results were found for 4 with IC50 equal to 57.41,mu M. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.12.016
• 作为产物：
  描述：

  2-呋喃甲胺 、 2,6-二氯嘌呤 在 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 反应 9.0h， 以8%的产率得到2-chloro-N-(2-furanylmethyl)-9H-purin-6-amine
  参考文献：
  名称：

  METHOD FOR SCREENING SUBSTANCE CAPABLE OF INHIBITING ABNORMAL SPLICING CAUSATIVE OF ONSET OR PROGRESS OF DISEASE

  摘要：

  提供了一种用于与异常剪接变异有关的疾病的化合物和制药组合物，使用该化合物和制药组合物或该化合物和制药组合物的筛选方法。其中一种或多种实施例披露了由以下公式（I）或（I'）表示的化合物，或其前药或药学上可接受的盐。另一种或多种实施例披露了使用DNA构建的筛选方法，该DNA构建被融合、排列或构建成为表达野生型剪接变异体和导致疾病发展或进展的异常剪接变异体的不同报告基因。

  公开号：

  US20160152620A1

文献信息

• Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK)
  申请人：CHEN Han-Min

  公开号：US20140303112A1

  公开（公告）日：2014-10-09

  The present invention relates to a method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) and the use of the compounds in the prevention or treatment of disease, including pre-diabetes, type 2 diabetes, syndrome X, metabolic syndrome and obesity.

  本发明涉及一种治疗疾病或病情的方法，该疾病或病情容易通过AMPK激活剂和公式化合物得到改善，这些化合物有助于激活AMP激活蛋白激酶（AMPK），并将这些化合物用于预防或治疗疾病，包括糖尿病前期、2型糖尿病、X综合症、代谢综合征和肥胖症。
• [EN] COMPOUNDS FOR IMPROVING MRNA SPLICING<br/>[FR] COMPOSÉS POUR AMÉLIORER L'ÉPISSAGE DE L'ARNM
  申请人：GEN HOSPITAL CORP

  公开号：WO2016115434A1

  公开（公告）日：2016-07-21

  Provided herein are compounds useful for improving mRNA splicing in a cell. Exemplary compounds provided herein are useful for improving mRNA splicing in genes comprising at least one exon ending in the nucleotide sequence CAA. Methods for preparing the compounds and methods of treating diseases of the central nervous system are also provided.

  本文提供了一些有助于改善细胞内mRNA剪接的化合物。本文提供的示例化合物有助于改善包含至少一个以核苷酸序列CAA结尾的外显子的基因的mRNA剪接。还提供了制备这些化合物的方法以及治疗中枢神经系统疾病的方法。
• [EN] COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE<br/>[FR] COMPOSITIONS ET PROCEDES LES UTILISANT POUR LE TRAITEMENT DE MALADIE NEURODEGENERATIVE ET MITOCHONDRIALE
  申请人：MITOKININ LLC

  公开号：WO2015123365A1

  公开（公告）日：2015-08-20

  The present disclosure is directed, in part, to compounds, or pharmaceutically acceptable salts thereof, for the treatment and/or prevention of neurodegenerative disease and/or mitchonodrial disease including Parkinson's disease and Leigh's disease.

  本公开涉及部分化合物或其药用盐，用于治疗和/或预防神经退行性疾病和/或线粒体疾病，包括帕金森病和雷氏病。
• Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease
  申请人：Mitokinin, LLC

  公开号：US10167286B2

  公开（公告）日：2019-01-01

  The disclosure is directed to compounds and pharmaceutically acceptable salts thereof for the treatment and/or prevention of neurodegenerative and/or mitochondrial diseases, such as Parkinson's disease and Leigh's disease. The compounds and pharmaceutically acceptable salts thereof are of the class of nitrogenous bases, for example, pyrimidines, purines, pteridines and pharmaceutically acceptable salts thereof.

  本公开涉及用于治疗和/或预防神经退行性疾病和/或线粒体疾病（如帕金森病和利氏病）的化合物及其药学上可接受的盐。这些化合物及其药学上可接受的盐属于含氮碱类，例如嘧啶、嘌呤、蝶啶及其药学上可接受的盐。
• Compounds for improving mRNA splicing
  申请人：The General Hospital Corporation

  公开号：US10676475B2

  公开（公告）日：2020-06-09

  Provided herein are compounds useful for improving mRNA splicing in a cell. Exemplary compounds provided herein are useful for improving mRNA splicing in genes comprising at least one exon ending in the nucleotide sequence CAA. Methods for preparing the compounds and methods of treating diseases of the central nervous system are also provided.

  本文提供的化合物有助于改善细胞中的 mRNA 剪接。本文提供的示例化合物可用于改善包含至少一个以核苷酸序列 CAA 结尾的外显子的基因中的 mRNA 剪接。还提供了制备这些化合物的方法和治疗中枢神经系统疾病的方法。