4-Pyridinecarboxaldehyde t-Butoxycarbohydrazone | 106728-59-0

• 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
• 英文名称: 4-Pyridinecarboxaldehyde t-Butoxycarbohydrazone
• 英文别名: N-(1-aza-2-(4-pyridyl)vinyl)(tert-butoxy)carboxamide；tert-butyl 2-(pyridin-4-ylmethylene)hydrazinecarboxylate；tert-butyl-2-(pyridin-4-ylmethylidene)hydrazinecarboxylate；tert-butyl N-(pyridin-4-ylmethylideneamino)carbamate
• CAS: 106728-59-0
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: HWDJKQYULVDZQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Pyridinecarboxaldehyde t-Butoxycarbohydrazone 在 碘苯二乙酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以47%的产率得到5-(吡啶-4-基)-1,3,4-噁二唑-2(3H)-酮
  参考文献：
  名称：

  Baumgarten, Henry E.; Hwang, Deng-Ruey; Rao, T. N., Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 945 - 949

  摘要：

  DOI：
• 作为产物：
  描述：

  4-吡啶甲醛 、 肼基甲酸叔丁酯 生成 4-Pyridinecarboxaldehyde t-Butoxycarbohydrazone
  参考文献：
  名称：

  轻松合成含有新型伪对称二肽等排体的有效HIV-1蛋白酶抑制剂

  摘要：

  通过用各种取代的肼将受保护的环氧化物开环，合成了一系列含有新型伪对称二肽等位基因3的有效的HIV-1蛋白酶抑制剂。

  DOI：

  10.1039/c39930001052

文献信息

• 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。
• Facile synthesis of potent HIV-1 protease inhibitors containing a novel pseudo-symmetric dipeptide isostere
  作者：Hing L. Sham、David A. Betebenner、Chen Zhao、Norman E. Wideburg、Ayda Saldivar、Dale J. Kempf、Jacob J. Plattner、Daniel W. Norbeck

  DOI：10.1039/c39930001052

  日期：——

  A series of potent inhibitors of the HIV-1 protease containing a novel pseudo-symmetric dipeptide isostere 3 was synthesized via ring opening of a protected epoxide with various substituted hydrazines.

  通过用各种取代的肼将受保护的环氧化物开环，合成了一系列含有新型伪对称二肽等位基因3的有效的HIV-1蛋白酶抑制剂。
• Pyridazinoquinolinetriones as NMDA Glycine-Site Antagonists with Oral Antinociceptive Activity in a Model of Neuropathic Pain
  作者：Thomas M. Bare、Dean G. Brown、Carey L. Horchler、Megan Murphy、Rebecca A. Urbanek、Vernon Alford、Christine Barlaam、Martin C. Dyroff、James B. Empfield、Janet M. Forst、Keith J. Herzog、Richard A. Keith、Alan S. Kirschner、Chi-Ming C. Lee、Joseph Lewis、Frances M. McLaren、Kathy L. Neilson、Gary B. Steelman、Shephali Trivedi、Edward P. Vacek、Wenhua Xiao

  DOI：10.1021/jm060212s

  日期：2007.6.1

  A series of 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5-b]quinoline-1,4,10(5H)-triones were synthesized and found to have potent activity at the glycine site of the NMDA receptor. In some cases, these compounds possessed poor aqueous solubility that may have contributed to poor rat oral bioavailability. Subsequently, compounds have been identified with improved aqueous solubility and oral bioavailability. Several of these compounds were examined in a rat chronic constrictive injury (CCI) model of neuropathic pain and found to have potent activity when dosed orally.
• Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
  作者：Tomoaki Hasui、Norio Ohyabu、Taiichi Ohra、Koji Fuji、Takahiro Sugimoto、Jun Fujimoto、Kouhei Asano、Masato Oosawa、Sachiko Shiotani、Nobuhiro Nishigaki、Keiji Kusumoto、Hideki Matsui、Atsushi Mizukami、Noriyuki Habuka、Satoshi Sogabe、Satoshi Endo、Midori Ono、Christopher S. Siedem、Tony P. Tang、Cassandra Gauthier、Lisa A. De Meese、Steven A. Boyd、Shoji Fukumoto

  DOI：10.1016/j.bmc.2014.07.038

  日期：2014.10

  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.
• Baumgarten, Henry E.; Hwang, Deng-Ruey; Rao, T. N., Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 945 - 949
  作者：Baumgarten, Henry E.、Hwang, Deng-Ruey、Rao, T. N.

  DOI：——

  日期：——