2-(2-吡嗪)马来二缩醛 | 13481-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(2-吡嗪)马来二缩醛
• 中文别名: 2-(2-吡嗪)丙二醛
• 英文名称: 2-(2-pyrazinyl)malondialdehyde
• 英文别名: 2-<2-Pyrazinyl>-malonaldehyd；pyrazinyl-malonaldehyde；2-(Pyrazin-2-yl)malonaldehyde；2-pyrazin-2-ylpropanedial
• CAS: 13481-00-0
• 化学式: C₇H₆N₂O₂
• mdl: MFCD00216533
• 分子量: 150.137
• InChiKey: JMZSRARKHGBIFL-UHFFFAOYSA-N

物化性质

• 熔点：
  202-207 °C
• 沸点：
  228.88°C (rough estimate)
• 密度：
  1.0281 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi,C
• 安全说明：
  S25,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933990090
• 储存条件：
  存放于阴凉干燥处

反应信息

• 作为反应物：
  描述：

  2-(2-吡嗪)马来二缩醛 在 ammonium acetate 、 sodium hydride 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 20.67h， 生成 (4bS,8R,8aS,13bR)-7-(cyclopropylmethyl)-1,8a-bis(3-phenylpropoxy)-11-(pyrazin-2-yl)-6,7,8,8a,9,13b-hexahydro-5H-4,8-methanobenzofuro[3,2-h]pyrido[3,4-g]quinoline
  参考文献：
  名称：

  5'-Aryl-14-alkoxypyridomorphinans 的合成和构效关系：鉴定具有全身镇痛活性和减少阿片类药物副作用的 μ 阿片受体激动剂/δ 阿片受体拮抗剂配体。

  摘要：

  我们之前鉴定了一种吡啶吗啡喃 ( 6 , SRI-22138)，在吡啶的 5'-位具有 4-氯苯基取代基，在吗啡喃的 14-位具有 3-苯基丙氧基作为混合 μ 阿片受体 (MOR) 激动剂和 δ/κ 阿片受体 (DOR/KOR) 拮抗剂，具有强效镇痛活性并降低啮齿动物的耐受性和依赖性。该分子 5' 和 14 位的结构变化让我们深入了解了结合和功能活性的结构-活性关系。细微的结构变化产生了重大影响，特别是对化合物在 MOR 中作为激动剂发挥作用的能力。体内评估鉴定出化合物20(SRI-39067) 作为 MOR 激动剂/DOR 拮抗剂，在小鼠甩尾试验中产生全身活性强效镇痛活性，与吗啡相比，耐受性、依赖性/戒断、奖赏责任和呼吸抑制降低。这些结果支持混合 MOR 激动剂/DOR 拮抗剂配体可能作为新型阿片类镇痛剂出现并减少副作用的假设。

  DOI：

  10.1021/acs.jmedchem.0c00503

文献信息

• Bicyclic Heterocyclic Compounds as FGFR Inhibitors
  申请人：Berdini Valerio

  公开号：US20100120761A1

  公开（公告）日：2010-05-13

  The invention relates to new bicyclic heterocyclic derivative compounds, to pharmaceutical compositions comprising said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

  本发明涉及新的双环杂环衍生物化合物，涉及包括该化合物的药物组合物，以及利用该化合物治疗疾病，例如癌症的用途。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• N6-Cycloalkyl-2-substituted adenosine derivatives as selective, high affinity adenosine A1 receptor agonists
  作者：Elfatih Elzein、Rao Kalla、Xiaofen Li、Thao Perry、Tim Marquart、Mark Micklatcher、Yuan Li、Yuzhi Wu、Dewan Zeng、Jeff Zablocki

  DOI：10.1016/j.bmcl.2006.09.065

  日期：2007.1

  A series of new selective, high affinity A(1)-AdoR agonists is reported. Compound 23 that incorporated a carboxylic acid functionality in the 4-position of the pyrazole ring displayed K-iL value of 1 nM for the A(1)-AdoR and > 5000-fold selectivity over the A(3) and A(2A)-AdoRs. In addition, compound 19 that incorporated a carboxamide functionality in the 4-position of the pyrazole ring displayed subnanomolar affinity for the A(1)-AdoR (K-iL = 0.6 nM) and > 600-fold selectivity over the A(3) and A(2A)-AdoRs. (c) 2006 Elsevier Ltd. All rights reserved.
• Novel ligands for the opioid receptors: synthesis and structure–activity relationships among 5′-aryl and 5′-heteroaryl 17-cyclopropylmethyl-4,5α-epoxypyrido[2′,3′:6,7]morphinans
  作者：Subramaniam Ananthan、Naveen K Khare、Surendra K Saini、Peg Davis、Christina M Dersch、Frank Porreca、Richard B Rothman

  DOI：10.1016/s0968-0896(03)00432-2

  日期：2003.9

  A series of pyridomorphinans possessing an aryl (10a-s) or heteroaryl (11a-h) substituent at the 5'-position of the pyridine ring of 17-cyclopropylmethyl-4,5alpha-epoxypyrido[2,3:6,7]morphinan was synthesized and evaluated for binding and functional activity at the opioid delta, mu, and kappa receptors. All of these pyridomorphinans bound with higher affinity at the delta site than at mu or kappa sites. The binding data on isomeric compounds revealed that there exists greater bulk tolerance for substituents placed at the o-position of the phenyl ring than at m- or p-positions. Among the ligands examined, the 2-chlorophenyl (101), 2-nitrophenyl (10n), 2-pyridyl (11a), and 4-quinolinyl (11g) compounds bound to the delta receptor with subnanomolar affinity. Compound 10c with the p-tolyl substituent displayed the highest mu/delta selectivity (ratio = 42) whereas compound 101 with the 2-chlorophenyl substituent displayed the highest kappa/delta selectivity (ratio 23). At 10 muM concentration, the in vitro functional activity determined using [S-35]GTP-gamma-S binding assays showed that all of the compounds were antagonists devoid of any significant agonist activity at the delta, mu, and kappa receptors. Antagonist potency determinations of three selected ligands revealed that the p-tolyl compound 10c is a potent 6 selective antagonist. In the [S-35]GTP-7-S assays this compound had a functional antagonist K-i value of 0.2, 4.52, and 7.62 nM at the delta, mu, and kappa receptors, respectively. In the smooth muscle assays 10c displayed delta antagonist potency with a K-e value of 0.88 nM. As an antagonist, it was 70-fold more potent at the 6 receptors in the MVD than at the mu receptors in the GPI. The in vitro delta antagonist profile of this pyridomorphinan 10c resembles that of the widely used delta selective antagonist ligand naltrindole. (C) 2003 Elsevier Ltd. All rights reserved.
• TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS
  申请人：Astex Therapeutics Limited

  公开号：EP2121687B1

  公开（公告）日：2015-10-14