2,4-二氯-6-乙氧基-1,3,5-三嗪 | 18343-30-1

• 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: 2,4-二氯-6-乙氧基-1,3,5-三嗪
• 英文名称: 2,4-dichloro-6-ethoxy-1,3,5-triazine
• 英文别名: 2-ethoxy-4,6-dichloro-s-triazine；2,4-dichloro-6-ethoxy-[1,3,5]triazine；Aethoxy-dichlor-[1,3,5]triazin；2,4-Dichlor-6-ethoxy-1,3,5-triazin；2-Ethoxy-4,6-dichlor-1,3,5-triazin
• CAS: 18343-30-1
• 化学式: C₅H₅Cl₂N₃O
• 分子量: 194.02
• InChiKey: HMSBXLTWCMFPDZ-UHFFFAOYSA-N

物化性质

• 熔点：
  31.5-32.5 °C(Solv: hexane (110-54-3))
• 沸点：
  114 °C(Press: 12 Torr)
• 密度：
  1.453±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-乙氧基-1,3,5-三嗪 在 N-甲基吗啉 、 sodium acetate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 46.0h， 以100%的产率得到6-ethoxy-1H-[1,3,5]triazine-2,4-dione
  参考文献：
  名称：

  トリアジン−２，４−ジオン誘導体及びその製造方法

  摘要：

  This invention provides a novel triazine-2,4-dione derivative having two glycyl groups as substituents binding to nitrogen atoms and further having one substituent containing an alkoxy group, and a method for producing the same. The substance represented by the following formula (1), which is in a liquid state at 25°C and 101.3 kPa, is a diglycyltriazine-2,4-dione derivative. (In the formula, R1 represents an alkyl group having 1 to 10 carbon atoms, and R2 and R3 each independently represent an alkylene group having 1 to 5 carbon atoms, m and n each independently represent an integer from 0 to 5, and the total number of carbon atoms of the - (R3O) n (R2O) mR1 group is from 1 to 18.) No selection figures are provided.

  公开号：

  JP2019094314A
• 作为产物：
  描述：

  三聚氯氰 生成 2,4-二氯-6-乙氧基-1,3,5-三嗪
  参考文献：
  名称：

  KORYAKOV, N. YA.;KOSHOKOV, A. B.;SELIVANOV, V. F.;TSELINSKIJ, I. V.;KRAUK+

  摘要：

  DOI：

文献信息

• [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YLE ACÉTIQUE UTILISÉS EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK NO 5 LTD

  公开号：WO2018127801A1

  公开（公告）日：2018-07-12

  Disclosed are compounds of Formula I, including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS.

  公开了式I化合物，包括药学上可接受的盐、包含这些化合物的药物组合物、制备这些化合物的方法以及它们在抑制HIV整合酶和治疗HIV或AIDS感染者中的用途。
• Design, Synthesis and Biological Evaluation of Novel Nonsteroidal Progesterone Receptor Antagonists Based on Phenylamino-1,3,5-triazine Scaffold
  作者：Kazuma Kaitoh、Aki Nakatsu、Shuichi Mori、Hiroyuki Kagechika、Yuichi Hashimoto、Shinya Fujii

  DOI：10.1248/cpb.c19-00094

  日期：2019.6.1

  5-triazine derivatives as novel nonsteroidal progesterone receptor (PR) antagonists. PR plays key roles in various physiological systems, including the female reproductive system, and PR antagonists are promising candidates for clinical treatment of multiple diseases. By using the phenylamino-1,3,5-triazine scaffold as a template structure, we designed and synthesized a series of 4-cyanophenylamino-1,3,5-triazine

  我们在这里报告苯氨基-1,3,5-三嗪衍生物作为新型非甾体孕酮受体（PR）拮抗剂的发展。PR在包括雌性生殖系统在内的各种生理系统中起着关键作用，而PR拮抗剂是临床上有望治疗多种疾病的候选药物。以苯基氨基-1,3,5-三嗪骨架为模板结构，设计合成了一系列4-氰基苯基氨基-1,3,5-三嗪衍生物。合成的化合物表现出PR拮抗活性，其中化合物12n最有效（IC50 = 0.30 µM）。它也显示出对PR配体结合域的显着结合亲和力。对接模拟支持了化合物的设计原理。我们的结果表明，苯基氨基-1,3
• Compounds for the Treatment of Hepatitis C
  申请人：Wang Tao

  公开号：US20110086858A1

  公开（公告）日：2011-04-14

  The disclosure provides compounds of formula I, including pharmaceutically acceptable salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  该披露提供了公式I的化合物，包括药用可接受的盐，以及使用这些化合物的组合物和方法。这些化合物具有抗丙型肝炎病毒（HCV）的活性，并可能对感染HCV的患者有用。
• S-Triazine derivatives
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04140496A1

  公开（公告）日：1979-02-20

  An optically active s-triazine derivative having at least two asymmetric carbon atoms of the general formula: ##STR1## wherein n is 2 to 3; and X and Y are the same or different and are each a member selected from the group consisting of the groups: ##STR2## WHEREIN M IS 1 TO 3; AND R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5 and R.sub.6 are the same or different and are each an alkyl having 1 to 12 carbon atoms, a cycloalkyl having 5 to 6 carbon atoms, phenyl or benzyl, and a gas chromatographic method for the resolution and analysis of the mixture of enantiomers having an --NH-- group linked to an asymmetric carbon atom, comprising using said derivative as an optically active stationary phase for the gas chromatography.

  具有至少两个不对称碳原子的光学活性s-三嗪衍生物的一般式为：## STR1 ## 其中n为2至3; X和Y相同或不同，分别为选自以下组的成员：## STR2 ## 其中M为1至3; R1、R2、R3、R4、R5和R6相同或不同，分别为具有1至12个碳原子的烷基，具有5至6个碳原子的环烷基，苯基或苄基。还提供了一种气相色谱法，用于分离和分析具有与不对称碳原子相连的--NH--基团的对映体混合物，包括使用所述衍生物作为气相色谱的光学活性固定相。
• Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof
  申请人：Han Amy Qi

  公开号：US20120009151A1

  公开（公告）日：2012-01-12

  Disclosed herein are novel triazines and related compounds, the synthesis thereof, and compositions, including pharmaceutical compositions, comprising the novel triazines and related compounds. Such novel triazines and related compounds function to inhibit or block entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.

  本文披露了新型三嗪及其相关化合物，其合成方法以及包含新型三嗪和相关化合物的组合物，包括药物组合物。这些新型三嗪和相关化合物的功能是抑制或阻止易感染病毒的细胞进入黄病毒科病毒，包括丙型肝炎病毒（HCV）。这些化合物对于治疗、治疗和/或预防病毒性疾病和感染，包括HCV感染，是有用的。