2-氯-5-(亚甲基肼)吡啶 | 1057670-48-0

• 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: 2-氯-5-(亚甲基肼)吡啶
• 英文名称: 2-chloro-5-(hydrazinylmethyl)pyridine
• 英文别名: (6-chloropyridin-3-yl)methylhydrazine
• CAS: 1057670-48-0
• 化学式: C₆H₈ClN₃
• 分子量: 157.603
• InChiKey: NYNRZJAGUQREMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-氯-5-(亚甲基肼)吡啶 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Lead Optimization of Spiropyrazolopyridones: A New and Potent Class of Dengue Virus Inhibitors

  摘要：

  Spiropyrazolopyridone 1 was identified, as a novel dengue virus (DENY) inhibitor, from a DENV serotype 2 (DENV-2) high throughput phenotypic screen. As a general trend within this chemical class, chiral resolution of the racemate revealed that R enantiomer was significantly more potent than the S. Cell based lead optimization of the spiropyrazolopyridones focusing on improving the physico-chemical properties is described. As a result, an optimal compound 14a, with balanced in vitro potency and pharmacokinetic profile, achieved about 1.9 log viremia reduction at 3 X 50 mg/kg (bid) or 3 X 100 mg/kg (QD) oral doses in the dengue in vivo mouse efficacy model.

  DOI：

  10.1021/ml500521r
• 作为产物：
  描述：

  2-氯-5-氯甲基吡啶 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 2-氯-5-(亚甲基肼)吡啶
  参考文献：
  名称：

  Synthesis and Bioactivity Study of 2-Acylamino-Substituted N′-Benzylbenzohydrazide Derivatives

  摘要：

  The discovery of new safe and effective pesticides is one of the main means of providing eco-friendly agricultural agents for modern crop protection. To identify new biological molecules based of the anthranilic diamide skeleton of the novel pesticide chlorantraniliprole, which acts on the ryanodine receptor and functional groups in acyl hydrazine insect growth regulators, more than 40 new compounds of 2-acylamino-substituted N'-benzylbenzohydrazide derivatives were designed and synthesized. The structures of the new compounds were characterized using H-1 nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HRMS), or electron impact mass spectrometry (El MS), and their biological activities at a concentration of 600 mg L-1 were determined against cotton aphid (Aphis gossypii Glover), carmine spider mite (Tetranychus cinnabarinus), and diamondback moth (Plutella xylostella). The results of a preliminary assay showed that compounds 6a-I-2 and 6d-III-4 maintained the lethal activity of anthranilic diamide against P. xylostella; compounds 6c-II-4, 6d-I-7, 6d-II-1, and 6d-III-5 exhibited good lethal activity against A gossypii; and compounds 6a-II-1, 6a-III-1, 6b-I-7, 6c-I-1, and 6c-III-5 retained promising larvicidal activities against T. cinnabarinus. In subsequent further tests against T. cinnabarinus, compounds 6a-II-1, 6a-III-1, 6c-I-1, and 6c-III-5 showed an LC50 value of <90 mg L-1; especially, the LC50 of compound 6a-III-1 was only 27.9 mg L-1. In conclusion, the introduction of the functional fragment-substituted acyl hydrazine improved the acaricidal activity of the anthranilic diamide skeleton, and the halogen atom at X position and the methyl group at RI play crucial roles in the biological activities of the compounds.

  DOI：

  10.1021/jf303376t

文献信息

• Use of substituted oxadiazoles for combating phytopathogenic fungi
  申请人：BASF SE

  公开号：US10442777B2

  公开（公告）日：2019-10-15

  The present invention relates to the use of novel oxadiazoles of the formula I or an N-oxide and/or their agriculturally useful salts for controlling phytopathogenic fungi, or to a method for combating phytopathogenic harmful fungi, which process comprises treating the fungi or the materials, plants, the soil or seeds to be protected against fungal attack, with an effective amount of at least one compound of formula I or an N-oxide or an agriculturally acceptable salt thereof; and to agrochemical compositions comprising at least one such compound and to agrochemical compositions further comprising seeds.

  本发明涉及式 I 的新型噁二唑或其 N-氧化物和/或其农业上有用的盐在控制植物病原真菌方面的用途，或涉及一种防治植物病原有害真菌的方法，该方法包括用有效量的至少一种式 I 的化合物或其 N-氧化物或其农业上可接受的盐处理真菌或待保护的材料、植物、土壤或种子，使其免受真菌侵袭；以及包含至少一种此类化合物的农用化学品组合物和进一步包含种子的农用化学品组合物。
• 1,3-Disubstituted-1,2,4-triazin-6-ones with potent activity against androgen receptor-dependent prostate cancer cells
  作者：Shiting Zhao、Abdelsalam S. Ali、Xiaomin Liu、Zhiwei Yu、Xinyu Kong、Yan Zhang、G. Paul Savage、Yong Xu、Bin Lin、Donghai Wu、Craig L. Francis

  DOI：10.1016/j.bmc.2024.117634

  日期：2024.3
• EP3756464A1
  申请人：——

  公开号：EP3756464A1

  公开（公告）日：2020-12-30
• USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI
  申请人：BASF SE

  公开号：US20170144980A1

  公开（公告）日：2017-05-25

  The present invention relates to the use of novel oxadiazoles of the formula I or an N-oxide and/or their agriculturally useful salts for controlling phytopathogenic fungi, or to a method for combating phytopathogenic harmful fungi, which process comprises treating the fungi or the materials, plants, the soil or seeds to be protected against fungal attack, with an effective amount of at least one compound of formula I or an N-oxide or an agriculturally acceptable salt thereof; and to agrochemical compositions comprising at least one such compound and to agrochemical compositions further comprising seeds.
• Lead Optimization of Spiropyrazolopyridones: A New and Potent Class of Dengue Virus Inhibitors
  作者：Bin Zou、Wai Ling Chan、Mei Ding、Seh Yong Leong、Shahul Nilar、Peck Gee Seah、Wei Liu、Ratna Karuna、Francesca Blasco、Andy Yip、Alex Chao、Agatha Susila、Hongping Dong、Qing Yin Wang、Hao Ying Xu、Katherine Chan、Kah Fei Wan、Feng Gu、Thierry T. Diagana、Trixie Wagner、Ina Dix、Pei-Yong Shi、Paul W. Smith

  DOI：10.1021/ml500521r

  日期：2015.3.12

  Spiropyrazolopyridone 1 was identified, as a novel dengue virus (DENY) inhibitor, from a DENV serotype 2 (DENV-2) high throughput phenotypic screen. As a general trend within this chemical class, chiral resolution of the racemate revealed that R enantiomer was significantly more potent than the S. Cell based lead optimization of the spiropyrazolopyridones focusing on improving the physico-chemical properties is described. As a result, an optimal compound 14a, with balanced in vitro potency and pharmacokinetic profile, achieved about 1.9 log viremia reduction at 3 X 50 mg/kg (bid) or 3 X 100 mg/kg (QD) oral doses in the dengue in vivo mouse efficacy model.