2-(2,6-二氯苯基)乙酰肼 | 129564-34-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2,6-二氯苯基)乙酰肼
• 中文别名: 2-(2,6-二氯苯基)乙烷肼
• 英文名称: 2-(2,6-dichlorophenyl)acetohydrazide
• 英文别名: 2,6-dichlorophenylacetohydrazide；2,6-dichlorophenylacetic hydrazide；2,6-dichlorophenylacetylhydrazine
• CAS: 129564-34-7
• 化学式: C₈H₈Cl₂N₂O
• mdl: MFCD01923147
• 分子量: 219.07
• InChiKey: JKMIQRZALCSJNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  2-(2,6-二氯苯基)乙酰肼 、 4-氯异硫氰酸苯酯 以 乙醇 为溶剂， 反应 5.0h， 以100%的产率得到N-(4-chlorophenyl)-2-(2-(2,6-dichlorophenyl)acetyl)hydrazinecarbothioamide
  参考文献：
  名称：

  [EN] NOVEL AZOLES AND RELATED DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS (NNRTIS) IN ANTIVIRAL THERAPY (HIV)
  [FR] NOUVEAUX AZOLES ET DÉRIVÉS APPARENTÉS À TITRE D'INHIBITEURS NON NUCLÉOSIDIQUES DE TRANSCRIPTASE INVERSE (NNRTIS) EN THÉRAPIE ANTIVIRALE (VIH)

  摘要：

  本发明涉及新颖的杂环化合物，包括噁二唑化合物，药物组合物及其在抑制逆转录酶以及治疗HIV（1和2）感染、艾滋病和ARC以及其他病毒感染中的用途。

  公开号：

  WO2009005811A1
• 作为产物：
  描述：

  2-(2,6-二氯苯基)乙酸乙酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 2-(2,6-二氯苯基)乙酰肼
  参考文献：
  名称：

  Thiadiazole-based Thioglycosides as Sodium-glucose Co-transporter 2 (SGLT2) Inhibitors

  摘要：

  AbstractA series of thiadiazole‐based thioglycosides were synthesized as SGLT2 inhibitors from D‐glucose, D‐galactose and a variety of phenylacetic acids via a convenient protocol in 8 steps and evaluated in vivo with an oral glucose tolerance test (OGTT), and 5‐benzyl‐1,3,4‐thiadiazol‐2‐yl 1‐thio‐β‐D‐glucopyranoside (1a) was the most efficacious to suppress the blood glucose excursion during OGTT.

  DOI：

  10.1002/cjoc.201090120

文献信息

• [EN] NOVEL AZOLES AND RELATED DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS (NNRTIS) IN ANTIVIRAL THERAPY (HIV)<br/>[FR] NOUVEAUX AZOLES ET DÉRIVÉS APPARENTÉS À TITRE D'INHIBITEURS NON NUCLÉOSIDIQUES DE TRANSCRIPTASE INVERSE (NNRTIS) EN THÉRAPIE ANTIVIRALE (VIH)
  申请人：UNIV YALE

  公开号：WO2009005811A1

  公开（公告）日：2009-01-08

  The present invention relates to novel heterocyclic compounds, including oxadiazole compounds, pharmaceutical compositions and their use in the inhibition of reverse transcriptase and the treatment of HIV (1 and 2) infections, AIDS and ARC and other viral infections.

  本发明涉及新颖的杂环化合物，包括噁二唑化合物，药物组合物及其在抑制逆转录酶以及治疗HIV（1和2）感染、艾滋病和ARC以及其他病毒感染中的用途。
• AZOXY COMPOUND
  申请人：KOWA CO. LTD.

  公开号：EP0396769A1

  公开（公告）日：1990-11-14

  A novel 2-imino derivative of an antifungal substance KA-7367A represented by formula (I) is disclosed. This derivative has a strong antifungal activity and an excellent stability, and is useful, for example, as an antifungal agent for warm-blooded animals including human beings and for use in agricultural and horticultural fields.

  本发明公开了一种由式（I）表示的抗真菌物质 KA-7367A 的新型 2-亚氨基衍生物。这种衍生物具有很强的抗真菌活性和出色的稳定性，可用作温血动物（包括人类）的抗真菌剂，也可用于农业和园艺领域。
• Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives
  作者：Cheryl S. Leung、Jacob G. Zeevaart、Robert A. Domaoal、Mariela Bollini、Vinay V. Thakur、Krasimir A. Spasov、Karen S. Anderson、William L. Jorgensen

  DOI：10.1016/j.bmcl.2010.03.006

  日期：2010.4

  Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase is being pursued with the assistance of free energy perturbation (FEP) calculations to predict relative free energies of binding. Extension of azole-containing inhibitors into an 'eastern' channel between Phe227 and Pro236 has led to the discovery of potent and structurally novel derivatives. (C) 2010 Elsevier Ltd. All rights reserved.
• From Docking False-Positive to Active Anti-HIV Agent
  作者：Gabriela Barreiro、Joseph T. Kim、Cristiano R. W. Guimarães、Christopher M. Bailey、Robert A. Domaoal、Ligong Wang、Karen S. Anderson、William L. Jorgensen

  DOI：10.1021/jm070683u

  日期：2007.11.1

  Virtual screening of the Maybridge library of ca. 70 000 compounds was performed using a similarity filter, docking, and molecular mechanics-generalized Born/surface area postprocessing to seek potential non-C, nucleoside inhibitors of human immunodeficiency virus-1 (HIV-1) reverse transcriptase (NNRTIs). Although known NNRTIs were retrieved well, purchase and assaying of representative, top-scoring compounds from the library failed to yield any active anti-HIV agents. However, the highest-ranked library compound, oxadiazole 1, was pursued as a potential "near-miss" with the BOMB program to seek constructive modifications. Subsequent synthesis and assaying of several polychloro-analogs did yield anti-HIV agents with EC50 values as low as 310 nM. The study demonstrates that it is possible to learn from a formally unsuccessful virtual-screening exercise and, with the aid of computational analyses, to efficiently evolve a false positive into a true active.
• US5093480A
  申请人：——

  公开号：US5093480A

  公开（公告）日：1992-03-03