1-肼基-2-丁醇 | 41470-19-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-肼基-2-丁醇
• 英文名称: 2-hydroxybutylhydrazine
• 英文别名: 1-hydrazinylbutan-2-ol；1-hydrazinobutan-2-ol；1-hydrazino-2-butanol；hydrazino-2-butanol；1-hydrazino-butan-2-ol
• CAS: 41470-19-3
• 化学式: C₄H₁₂N₂O
• mdl: MFCD00089966
• 分子量: 104.152
• InChiKey: UIQGJTTVVCHBCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  107-110 °C(Press: 0.3 Torr)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.3
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  1-肼基-2-丁醇 、 2-氰基-3-乙氧基丙烯酸乙酯 以 乙醇 为溶剂， 生成 5-amino-1-(2-hydroxybutyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  New Pyrazolyl Thioureas Active against the Staphylococcus Genus

  摘要：

  To meet the urgent need for new antibacterial molecules, a small library of pyrazolyl thioureas (PTUs) was designed, synthesized and tested against difficult-to-treat human pathogens. The prepared derivatives are characterized by a carboxyethyl functionality on C4 and different hydroxyalkyl chains on N1. Compounds 1a–o were first evaluated against a large panel of Gram-positive and Gram-negative pathogens. In particular, the majority of PTUs proved to be active against different species of the Staphylococcus genus, with MIC values ranging from 32 to 128 µg/mL on methicillin-resistant Staphylococcus strains, often responsible for severe pulmonary disease in cystic fibrosis patients. Time-killing experiments were also performed for the most active compounds, evidencing a bacteriostatic mechanism of action. For most active derivatives, cytotoxicity was evaluated in Vero cells, and at the tested concentrations and at the experimental exposure time of 24 h, none of the compounds analysed showed significant toxicity. In addition, favourable drug-like, pharmacokinetic and toxicity properties were predicted for all new synthesized derivatives. Overall, the collected data confirmed the PTU scaffold as a promising chemotype for the development of novel antibacterial agents active against Gram-positive multi-resistant strains frequently isolated from cystic fibrosis patients.

  DOI：

  10.3390/ph17030376
• 作为产物：
  描述：

  1,2-环氧丁烷 在 一水合肼 作用下， 反应 3.0h， 生成 1-肼基-2-丁醇
  参考文献：
  名称：

  Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists

  摘要：

  In the course of our study on selective nonsteroidal mineralocorticoid receptor (MR) antagonists, a series of novel benzoxazine derivatives possessing an azole ring as the core scaffold was designed for the purpose of attenuating the partial agonistic activity of the previously reported dihydropyrrol-2-one derivatives. Screening of alternative azole rings identified 1,3-dimethyl pyrazole 6a as a lead compound with reduced partial agonistic activity. Subsequent replacement of the 1-methyl group of the pyrazole ring with larger lipophilic side chains or polar side chains targeting Arg817 and Gln776 increased MR binding activity while maintaining the agonistic response at the lower level. Among these compounds, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one (37a) showed highly potent in vitro activity, high selectivity versus other steroid hormone receptors, and good pharmacokinetic profiles. Oral administration of 37a in deoxycorticosterone acetate-salt hypertensive rats showed a significant blood pressure-lowering effect with no signs of antiandrogenic effects. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.07.038

文献信息

• [EN] RORγ MODULATORS<br/>[FR] MODULATEURS DE ROR&Ggr;
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015042212A1

  公开（公告）日：2015-03-26

  Described are RORγ modulators of the formula (I), or pharmaceutically acceptable salts thereof, wherein all substituents are defined herein. The invention includes stereoisomeric forms of the compounds of formula I, including stereoisomerically-pure, scalemic and racemic form, as well as tautomers thereof. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其药用盐，其中所有取代基在此处定义。该发明包括公式I化合物的立体异构体形式，包括立体异构纯、混合和消旋形式，以及其互变异构体。还提供了包含相同化合物的药物组合物。这些化合物和组合物在调节细胞中的RORγ活性的方法以及治疗患有疾病或紊乱的受试者的方法中是有用的，其中受试者在调节RORγ活性方面会获益，例如自身免疫和/或炎症性疾病。
• PYRAZOLE COMPOUNDS
  申请人：FUKUMOTO Shoji

  公开号：US20100094000A1

  公开（公告）日：2010-04-15

  The present invention relates to wherein each symbol is as defined in the specification. The compound has a superior mineralocorticoid receptor antagonistic action and is useful as an agent for the prophylaxis or treatment of a disease or condition mediated by the mineralocorticoid receptor activation.

  本发明涉及其中每个符号如规范中定义的。该化合物具有优越的矿物皮质激素受体拮抗作用，并可用作通过矿物皮质激素受体激活介导的疾病或病况的预防或治疗剂。
• Preparation and Stereochemistry of Dioxatetraazaperhydroanthracenes and -perylenes from the Reaction of 2-Hydrazinoethanols with Aldehydes and Glutaraldehyde
  作者：Tadashi Okawara、Shuji Ehara、Hideaki Kagotani、Yoshinari Okamoto、Masashi Eto、Kazunobu Harano、Tetsuo Yamasaki、Mitsuru Furukawa

  DOI：10.1021/jo951878p

  日期：1996.1.1

  Hydrazinoethanols 1 were reacted with aldehydes 2 and 6 and glutaraldehyde (14) in aqueous solution to give dioxatetraazaperhydroanthracenes 3, 7, 12, and 13 and -perylenes 15 in yields of 19-88 and 42-72%, respectively. Compounds 3, 7, 12, and 15 were deduced by (13)C-NMR spectra to have two C(2) symmetry axes, while compound 12 was shown to have a symmetry axis by X-ray crystallography. The most

  在水溶液中使肼基乙醇1与醛2和6以及戊二醛（14）反应，分别得到19-88和42-72％的二氧杂环戊二氮杂过氢蒽3、7、12、13和-per 15。通过（13）C-NMR谱推导化合物3、7、12和15具有两个C（2）对称轴，而通过X射线晶体学显示化合物12具有对称轴。最有利的立体异构体与通过半经验分子轨道方法AM1获得的预测一致。化合物15的结构通过X射线晶体学确认。
• 6-(Substituted phenyl)-4,5-dihydro-pyridazin-3(2H)-ones
  申请人：Sandoz, Inc.

  公开号：US04177273A1

  公开（公告）日：1979-12-04

  The present invention provides new pyridazinones of the formula ##STR1## where R is alkyl; R.sub.1 and R.sub.2 are halo, alkyl, alkoxy, amino; nitro or trifluoromethyl; R.sub.3 is hydrogen, hydroxy, or acyloxy; R.sub.4 is hydrogen or alkyl; and R.sub.5 is hydroxy or acyl; which are useful as central nervous system depressants.

  本发明提供了新的吡啶并咪唑酮化合物，其化学式为##STR1##其中，R是烷基；R.sub.1和R.sub.2是卤素、烷基、烷氧基、氨基、硝基或三氟甲基；R.sub.3是氢、羟基或酰氧基；R.sub.4是氢或烷基；R.sub.5是羟基或酰基。这些化合物可用作中枢神经系统抑制剂。
• Hydroxyalkyl substituted-4,5-dihydropyridazin(2H)-3-ones
  申请人：Sandoz Inc.

  公开号：US03931176A1

  公开（公告）日：1976-01-06

  Hydroxyalkyl and aryl or heterocyclic substituted-4,5-dihydropyridazin(2H)-3-ones and diazabicyclo-ene-ones e.g., 6-(p-chloro-phenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin(2H)-3-on e are prepared by condensing 1-hydrazino-2-alkanols with aryl or heterocyclic-.gamma.-keto acids and are useful as central nervous system depressants.

  羟基烷基和芳基或杂环取代的4,5-二氢吡啶嗪(2H)-3-酮和二氮杂双环烯-酮，例如6-(对氯苯基)-2-(2-羟基丁基)-4,5-二氢吡啶嗪(2H)-3-酮，通过将1-肼基-2-烷醇与芳基或杂环-γ-酮酸缩合制备而成，可用作中枢神经系统抑制剂。