4-氯-2,6-吡啶二甲醛 | 311767-65-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-氯-2,6-吡啶二甲醛
• 英文名称: 4-chloro-2,6-pyridinedicarbaldehyde
• 英文别名: 4-chloropyridine-2,6-dicarbaldehyde
• CAS: 311767-65-4
• 化学式: C₇H₄ClNO₂
• mdl: MFCD11036215
• 分子量: 169.567
• InChiKey: BSKSABGWROVHEE-UHFFFAOYSA-N

物化性质

• 沸点：
  256.6±40.0 °C(Predicted)
• 密度：
  1.437±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-氯-2,6-吡啶二甲醛 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以97%的产率得到4-azido-2,6-pyridinedicarbaldehyde
  参考文献：
  名称：

  Zinc-mediated binding of a low-molecular-weight stabilizer of the host anti-viral factor apolipoprotein B mRNA-editing enzyme, catalytic polypeptide-like 3G

  摘要：

  Apolipoprotein B mRNA-editing enzyme, catalytic polypeptide-like 3G (APOBEC3G, A3G), is a human anti-virus restriction protein which works deaminase-dependently and - independently. A3G is known to be ubiquitinated by HIV-1 viral infectivity factor (Vif) protein, leading to proteasomal degradation. A3G contains two zinc ions at the N-terminal domain and the C-terminal domain. Four lysine residues, K-297, K-301, K-303, and K-334, are known to be required for Vif-mediated A3G ubiquitination and degradation. Previously, we reported compound SN-1, a zinc chelator that increases steady-state expression level of A3G in the presence of Vif. In this study, we prepared Biotin-SN-1, a biotinylated derivative of SN-1, to study the SN-1-A3G interaction. A pull-down assay revealed that Biotin-SN-1 bound A3G. A zinc-abstraction experiment indicated that SN-1 binds to the zinc site of A3G. We carried out a SN-1-A3G docking study using molecular operating environment. The calculations revealed that SN-1 binds to the C-terminal domain through Zn2+, H-216, P-247, C-288, and Y-315. Notably, SN-1-binding covers the H-257, E-259, C-288, and C-291 residues that participate in zinc-mediated deamination, and the ubiquitination regions of A3G. The binding of SN-1 presumably perturbs the secondary structure between C-288 and Y-315, leading to less efficient ubiquitination. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.07.030
• 作为产物：
  描述：

  4-chloro-2,6-bis(1-pyrrolidinylcarbonyl)pyridine 在 lithium aluminium tetrahydride 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.67h， 以77%的产率得到4-氯-2,6-吡啶二甲醛
  参考文献：
  名称：

  A convenient approach for the synthesis of 2,6-diformyl- and 2,6-diacetylpyridines

  摘要：

  2,6-Diformyl- and 2,6-diacetylpyridines are readily accessed in good yields (60-90%) via the single-pot reaction of 2,6-pyridine dicarboxamides with LiAlH4 or MeMgCI in THF at 0-20 degrees C. The high efficiency of the method illustrates the significance of solubility in the reduction and alkylation of difunctionalized substrates. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.004

文献信息

• A Formal anti-Markovnikov Hydroalkoxylation of Allylic Alcohols with a Ruthenium Catalyst
  作者：Yushi Nakamura、Tetsuo Ohta、Yohei Oe

  DOI：10.1246/cl.171104

  日期：2018.3.5

  Hydroalkoxylation of C–C double bonds was achieved through the use of a ruthenium catalyst. The reaction of allylic alcohols with nucleophilic alcohols was carried out in the presence of a ruthenium catalyst prepared by RuClH(CO)(PPh3)3 and 2,6-bis(n-butyliminomethyl)-4-(piperidin-1-yl)pyridine under mild reaction conditions to afford the corresponding γ-alkoxypropanols in good yield.

  C-C双键的氢烷氧基化是通过使用钌催化剂实现的。烯丙醇与亲核醇的反应是在 RuClH(CO)(PPh3)3 和 2,6-双(正丁基亚氨基甲基)-4-(哌啶-1-基)吡啶制备的钌催化剂存在下进行的在温和的反应条件下，以良好的收率得到相应的γ-烷氧基丙醇。
• Oxidation-resistant indicator macromolecule
  申请人：Merical Marie Kandace

  公开号：US20070014726A1

  公开（公告）日：2007-01-18

  In one aspect, the present invention relates to an implantable device for detecting the presence or concentration of an analyte in an aqueous environment in vivo. The device includes a macromolecule that comprises a copolymer of: a) one or more indicator component monomers which individually are not sufficiently water soluble to permit their use in an aqueous environment for detecting the presence or concentration of said analyte; b) one or more hydrophilic monomers; and c) one or more catalytic antioxidant monomers; such that the macromolecule is capable of detecting the presence or concentration of the analyte in an aqueous environment. The presence of the catalytic antioxidant reduces or prevents oxidative damage to the macromolecule.

  在某方面，本发明涉及一种可植入的设备，用于检测体内水环境中的分析物的存在或浓度。该设备包括一种大分子，该大分子包括以下共聚物：a）一个或多个指示组分单体，这些单体单独来说在水环境中不足以溶解，以便用于检测所述分析物的存在或浓度；b）一个或多个亲水性单体；以及c）一个或多个催化抗氧化剂单体；因此，该大分子能够检测水环境中的分析物的存在或浓度。催化抗氧化剂的存在降低或预防了大分子的氧化损伤。
• POLYETHYLENE GLYCOLATED SUPEROXIDE DISMUTASE MIMETICS
  申请人：Salvemini Daniela

  公开号：US20080318917A1

  公开（公告）日：2008-12-25

  Compounds and methods for utilizing compounds comprising a superoxide dismutase mimetic covalently linked to polyethylene glycol. Methods are also provided for preparing a superoxide dismutase mimetic covalently linked to a polyethylene glycol, the methods comprising reacting an activated polyethylene glycol with a superoxide, dismutase mimetic, or alternatively, reacting a superoxide dismutase mimetic with an activated polyethylene glycol. A method is also provided for preventing or treating a disease or disorder in which superoxide anions are implicated, comprising administering to a subject in need thereof, a therapeutically effective amount of a compound comprising a superoxide dismutase mimetic covalently linked to a polyethylene glycol. Methods of determining the safety and efficacy of the compounds ere also provided. Methods for determining the safety and efficacy can include methods in lab animals and humans.

  化合物和利用化合物的方法，包括将超氧化物歧化酶类似物共价连接到聚乙二醇中。还提供了制备超氧化物歧化酶类似物共价连接到聚乙二醇的方法，其中包括将活化聚乙二醇与超氧化物歧化酶类似物反应，或者将超氧化物歧化酶类似物与活化聚乙二醇反应。还提供了一种方法，用于预防或治疗超氧阴离子参与的疾病或紊乱，包括向需要治疗的受体注射含有超氧化物歧化酶类似物共价连接到聚乙二醇的化合物的治疗有效剂量。还提供了确定化合物安全性和有效性的方法。确定安全性和有效性的方法可以包括在实验动物和人类中进行的方法。
• Substituted pyridino pentaazamacrocyle complexes having superoxide dismutase activity
  申请人：Monsanto Company

  公开号：US06214817B1

  公开（公告）日：2001-04-10

  The present invention relates to compounds which are effective as catalysts for dismutating superoxide and, more particularly, the manganese or iron complexes of substituted, unsaturated heterocyclic pentaazacyclopentadecane ligands which catalytically dismutate superoxide.

  本发明涉及一种化合物，其作为催化剂对超氧离子进行二聚化反应具有有效性，更具体地，是替代的、不饱和的杂环五氮杂十五元配体的锰或铁络合物，其催化二聚化超氧离子。
• Systematic Electronic Tuning on the Property and Reactivity of Cobalt–(Hydro)peroxo Intermediates
  作者：Kyungmin Kim、Seongmin Oh、Donghyun Jeong、Yuri Lee、Dohyun Moon、Sunggi Lee、Jaeheung Cho

  DOI：10.1021/acs.inorgchem.3c00826

  日期：2023.5.15

  A series of cobalt(III)–peroxo complexes, [CoIII(R2-TBDAP)(O2)]+ (1R2; R2 = Cl, H, and OMe), and cobalt(III)–hydroperoxo complexes, [CoIII(R2-TBDAP)(O2H)(CH3CN)]2+ (2R2), bearing electronically tuned tetraazamacrocyclic ligands (R2-TBDAP = N,N′-di-tert-butyl-2,11-diaza[3.3](2,6)-p-R2-pyridinophane) were prepared from their cobalt(II) precursors and characterized by various physicochemical methods.

  一系列钴 (III)–过氧络合物，[Co III (R 2 -TBDAP)(O 2 )] + ( 1 R2 ; R 2 = Cl、H 和 OMe)，以及钴 (III)–氢过氧络合物， [Co III (R 2 -TBDAP)(O 2 H)(CH 3 CN)] 2+ ( 2 R2 ), 带有电调四氮杂大环配体 (R 2 -TBDAP = N , N ′-di- tert -butyl-2 ,11-二氮杂[3.3](2,6)- p -R 2-pyridinophane) 由其钴 (II) 前体制备，并通过各种物理化学方法表征。X 射线衍射和光谱分析明确表明，所有1 R2化合物都具有相似的八面体几何结构，并带有侧向过氧钴 (III) 部分，但1 Cl [1.398(3) Å] 和1 OMe的 O-O 键长由于自旋态不同， [1.401(4) Å] 比1 H [1.456(3) Å]短。对于2 R2