(3-hydroxypropyl)hydrazine | 40440-12-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (3-hydroxypropyl)hydrazine
• 英文别名: 3-hydrazinopropanol；3-hydrazino-1-propanol；3-hydrazinylpropan-1-ol；3-hydrazinopropan-1-ol
• CAS: 40440-12-8
• 化学式: C₃H₁₀N₂O
• mdl: MFCD17977056
• 分子量: 90.1252
• InChiKey: WMRXHQRDCIXTCD-UHFFFAOYSA-N

物化性质

• 沸点：
  102-104 °C(Press: 0.6 Torr)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.17
• 重原子数：
  6.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.28
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(4-氟苯基)-1,3-丁二酮 、 (3-hydroxypropyl)hydrazine 在 三乙胺 、 三氟乙酸 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 以77%的产率得到3-[5-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]propan-1-ol
  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
• 作为产物：
  描述：

  3-氯-1-丙醇 在 一水合肼 、 sodium hydroxide 作用下， 以49.6 g的产率得到(3-hydroxypropyl)hydrazine
  参考文献：
  名称：

  铜绿假单胞菌 PAO1 群体感应抑制剂的设计、合成和生物学评价

  摘要：

  由于革兰氏阴性菌铜绿假单胞菌 PAO1 对大多数临床相关抗菌药物具有耐药性，因此在医院使用传统抗生素治疗具有挑战性。生物膜的形成受铜绿假单胞菌（PA）群体感应（QS）系统的调节，是产生耐药性的重要原因。铜绿假单胞菌存在三个主要的QS系统：las系统、rhl系统和pqs系统。 las系统的抑制剂是研究最多的。此前筛选时发现化合物AOZ-1对las系统有一定的抑制作用。本研究通过修饰AOZ-1的接头和环，设计并合成了24种化合物。本研究以 C. violaceum CV026 作为报告菌株，首先评估了新化合物对 QS 的抑制作用，并研究了其 SAR。然后，基于化合物AOZ-1衍生物的SAR分析，替换AOZ-1的母核，探索其结构多样性。然后，以3-氨基-四氢-1,3-恶嗪-2-酮为核心，设计并合成了9个新化合物。发现化合物 Y-31 (IC50 = 91.55 ± 3.35 µM) 可抑制 C.

  DOI：

  10.3390/molecules29102211

文献信息

• [EN] ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX DE PYRAZOLOPYRIDINONE
  申请人：NOVARTIS AG

  公开号：WO2021061898A1

  公开（公告）日：2021-04-01

  The invention provides compounds of Formula (I) as described herein, along with pharmaceutically acceptable salts, pharmaceutical compositions containing such compounds, and methods to use these compounds, salts and compositions for treating viral infections, particularly infections caused by herpesviruses.

  该发明提供了如下所述的化合物的化学式(I)，以及药学上可接受的盐、含有这些化合物的药物组合物，以及使用这些化合物、盐和组合物治疗病毒感染的方法，特别是由疱疹病毒引起的感染。
• Selected N,1-disubstituted hydrazinecarboxamides and their use as
  申请人：Olin Corporation

  公开号：US04521325A1

  公开（公告）日：1985-06-04

  Disclosed are selected N,1-disubstituted hydrazinecarboxamides having the formula ##STR1## wherein R.sub.1 is selected from the group consisting of alkyl containing from 1 to about 20 carbon atoms, aromatic containing from about 6 to about 12 carbon atoms, and cycloalkyl containing from about 5 to about 10 carbon atoms, and wherein R.sub.2 is selected from the group consisting of alkyl containing from 1 to about 20 carbon atoms and hydroxyalkyl containing from 2 to about 20 carbon atoms. These compounds have utility as antioxidants for a variety of organic compounds subject to oxidative degradation, including functional fluids such as petroleum fuels and lubricants. Selected hydrazinecarboxamides having the aforesaid formula are also novel compounds.

  披露了选择的N,1-二取代的肼羧酰胺，其化学式为##STR1##其中R.sub.1选自包含1至约20个碳原子的烷基，约6至约12个碳原子的芳香族和约5至约10个碳原子的环烷基的群体，并且R.sub.2选自包含1至约20个碳原子的烷基和包含2至约20个碳原子的羟基烷基的群体。这些化合物可用作各种有机化合物的抗氧化剂，这些有机化合物容易受到氧化降解的影响，包括石油燃料和润滑剂等功能流体。具有上述化学式的选择性肼羧酰胺也是新颖的化合物。
• Modulators of STING (Stimulator of Interferon Genes)
  申请人：PFIZER INC.

  公开号：US20210087180A1

  公开（公告）日：2021-03-25

  Compounds of the general formula (I): or a pharmaceutically acceptable salt thereof, processes for the preparation of these compounds, compositions containing these compounds, and the uses of these compounds.

  通式（I）的化合物： 或其药用可接受盐，制备这些化合物的方法，含有这些化合物的组合物，以及这些化合物的用途。
• 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。
• Heteroannulated-9,10-anthracenediones. The synthesis of substituted 5- and 7-chloroanthra[1,9-<i>cd</i>]pyrazol-6(2<i>H</i>)-ones, precursors to anticancer anthrapyrazoles
  作者：H. D. Hollis Showalter、Judith L. Johnson、Jeanne M. Hoftiezer

  DOI：10.1002/jhet.5570230547

  日期：1986.9

  Synthetic methodologies to a number of 5- and 7-chloroanthra[1,9-cd|pyrazol-6(2H)-ones, 4 and 37 respectively, optionally substituted with side chains at N-2 and dioxy substituents in the A ring, are reported. Reported also are detailed uv, ir and 1H-nmr spectroscopy for representative compounds.

  分别对应于5和7-氯蒽[1,9- cd |吡唑-6（2 H）-ones的合成方法，分别为4和37，在N环的N-2侧链和A环中的二氧基取代基取代，均已报告。还报告了代表性化合物的详细uv，ir和1 H-nmr光谱。